N-aminocarbonyl-3-methyl-2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]butanamide

Systemtic Name: N-aminocarbonyl-3-methyl-2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]butanamide Openeye Name: N-carbamoyl-3-methyl-2-[[4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]butanamide CAS Name: N-carbamoyl-3-methyl-2-[[4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: N-carbamoyl-3-methyl-2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]butanamide Traditional Name: N-carbamoyl-3-methyl-2-[[4-(p-tolyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]butyramide Formula: C19H26N6O2S MolecularWeight: 402.51374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SC(C(C)C)C(=O)NC(=O)N)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SC(C(C)C)C(=O)NC(=O)N)N3CCCC3

InChI

InChI=1S/C19H26N6O2S/c1-12(2)15(16(26)21-17(20)27)28-19-23-22-18(24-10-4-5-11-24)25(19)14-8-6-13(3)7-9-14/h6-9,12,15H,4-5,10-11H2,1-3H3,(H3,20,21,26,27)