[4-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]-pyrrolidino-methanone Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SCC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SCC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C21H22N4OS/c1-16-6-2-3-7-19(16)25-15-22-23-21(25)27-14-17-8-10-18(11-9-17)20(26)24-12-4-5-13-24/h2-3,6-11,15H,4-5,12-14H2,1H3