1-(azepan-1-yl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(azepan-1-yl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(1-azepanyl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(azepan-1-yl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(azepan-1-yl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C(=O)N1CCCCCC1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C24H28N4O2S/c1-18(23(29)27-16-8-3-4-9-17-27)31-24-26-25-22(19-12-14-21(30-2)15-13-19)28(24)20-10-6-5-7-11-20/h5-7,10-15,18H,3-4,8-9,16-17H2,1-2H3