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

Systemtic Name: 4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-butan-1-one Openeye Name: 4-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-butan-1-one CAS Name: 4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)-1-butanone IUPAC Name: 4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylbutan-1-one Traditional Name: 4-[[4-phenyl-5-(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)C2=NN=C(N2C3=CC=CC=C3)SCCCC(=O)N4CCCC4

Isomeric SMILES

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

InChI

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