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

Systemtic Name: N-aminocarbonyl-3-methyl-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide Openeye Name: N-carbamoyl-3-methyl-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide CAS Name: N-carbamoyl-3-methyl-2-[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: N-carbamoyl-3-methyl-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide Traditional Name: N-carbamoyl-3-methyl-2-[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]butyramide Formula: C19H26N6O2S MolecularWeight: 402.51374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)SC1=NN=C(N1C2=CC=CC=C2)CN3CCCC3

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)SC1=NN=C(N1C2=CC=CC=C2)CN3CCCC3

InChI

InChI=1S/C19H26N6O2S/c1-13(2)16(17(26)21-18(20)27)28-19-23-22-15(12-24-10-6-7-11-24)25(19)14-8-4-3-5-9-14/h3-5,8-9,13,16H,6-7,10-12H2,1-2H3,(H3,20,21,26,27)