1-[4-(2-fluorophenyl)piperazin-1-yl]-5-[[8-methyl-5-[(4-methylphenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]pentan-1-one

Systemtic Name: 1-[4-(2-fluorophenyl)piperazin-1-yl]-5-[[8-methyl-5-[(4-methylphenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]pentan-1-one Openeye Name: 1-[4-(2-fluorophenyl)piperazin-1-yl]-5-[[8-methyl-5-(p-tolylmethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]pentan-1-one CAS Name: 1-[4-(2-fluorophenyl)-1-piperazinyl]-5-[[8-methyl-5-[(4-methylphenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]thio]-1-pentanone IUPAC Name: 1-[4-(2-fluorophenyl)piperazin-1-yl]-5-[[8-methyl-5-[(4-methylphenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]pentan-1-one Traditional Name: 1-[4-(2-fluorophenyl)piperazino]-5-[[8-methyl-5-(4-methylbenzyl)-[1,2,4]triazin[5,6-b]indol-3-yl]thio]pentan-1-one Formula: C33H35FN6OS MolecularWeight: 582.734003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C)C4=C2N=C(N=N4)SCCCCC(=O)N5CCN(CC5)C6=CC=CC=C6F

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C)C4=C2N=C(N=N4)SCCCCC(=O)N5CCN(CC5)C6=CC=CC=C6F

InChI

InChI=1S/C33H35FN6OS/c1-23-10-13-25(14-11-23)22-40-28-15-12-24(2)21-26(28)31-32(40)35-33(37-36-31)42-20-6-5-9-30(41)39-18-16-38(17-19-39)29-8-4-3-7-27(29)34/h3-4,7-8,10-15,21H,5-6,9,16-20,22H2,1-2H3