8-methyl-5-phenethyl-3-(phenylmethylsulfanyl)-[1,2,4]triazino[5,6-b]indole

Systemtic Name: 8-methyl-5-phenethyl-3-(phenylmethylsulfanyl)-[1,2,4]triazino[5,6-b]indole Openeye Name: 3-benzylsulfanyl-8-methyl-5-phenethyl-[1,2,4]triazino[5,6-b]indole CAS Name: 8-methyl-5-phenethyl-3-(phenylmethylthio)-[1,2,4]triazino[5,6-b]indole IUPAC Name: 3-benzylsulfanyl-8-methyl-5-phenethyl-[1,2,4]triazino[5,6-b]indole Traditional Name: 3-(benzylthio)-8-methyl-5-phenethyl-[1,2,4]triazin[5,6-b]indole Formula: C25H22N4S MolecularWeight: 410.53398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C3=C2N=NC(=N3)SCC4=CC=CC=C4)CCC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N(C3=C2N=NC(=N3)SCC4=CC=CC=C4)CCC5=CC=CC=C5

InChI

InChI=1S/C25H22N4S/c1-18-12-13-22-21(16-18)23-24(29(22)15-14-19-8-4-2-5-9-19)26-25(28-27-23)30-17-20-10-6-3-7-11-20/h2-13,16H,14-15,17H2,1H3