4-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-butan-1-one

Systemtic Name: 4-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-butan-1-one Openeye Name: 4-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-butan-1-one CAS Name: 4-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)-1-butanone IUPAC Name: 4-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylbutan-1-one Traditional Name: 4-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-butan-1-one Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)N3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)N3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4OS/c1-18-11-13-20(14-12-18)27-22(19-8-3-2-4-9-19)24-25-23(27)29-17-7-10-21(28)26-15-5-6-16-26/h2-4,8-9,11-14H,5-7,10,15-17H2,1H3