4-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one Openeye Name: 4-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one CAS Name: 4-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-[4-(2-methoxyphenyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one Traditional Name: 4-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-[4-(2-methoxyphenyl)piperazino]butan-1-one Formula: C29H30ClN5O2S MolecularWeight: 548.0988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H30ClN5O2S/c1-37-26-11-6-5-10-25(26)33-17-19-34(20-18-33)27(36)12-7-21-38-29-32-31-28(22-13-15-23(30)16-14-22)35(29)24-8-3-2-4-9-24/h2-6,8-11,13-16H,7,12,17-21H2,1H3