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

Systemtic Name: 4-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-butan-1-one Openeye Name: 4-[[4-(4-methoxyphenyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-butan-1-one CAS Name: 4-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)-1-butanone IUPAC Name: 4-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylbutan-1-one Traditional Name: 4-[[4-(4-methoxyphenyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-butan-1-one Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCCCC(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCCCC(=O)N4CCCC4

InChI

InChI=1S/C24H28N4O2S/c1-18-7-9-19(10-8-18)23-25-26-24(28(23)20-11-13-21(30-2)14-12-20)31-17-5-6-22(29)27-15-3-4-16-27/h7-14H,3-6,15-17H2,1-2H3