N-(cyclohexylmethyl)-2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(cyclohexylmethyl)-2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(cyclohexylmethyl)-2-[[4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(cyclohexylmethyl)-2-[[4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(cyclohexylmethyl)-2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(cyclohexylmethyl)-2-[[4-(p-tolyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H31N5OS MolecularWeight: 413.57944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC3CCCCC3)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC3CCCCC3)N4CCCC4

InChI

InChI=1S/C22H31N5OS/c1-17-9-11-19(12-10-17)27-21(26-13-5-6-14-26)24-25-22(27)29-16-20(28)23-15-18-7-3-2-4-8-18/h9-12,18H,2-8,13-16H2,1H3,(H,23,28)