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

Systemtic Name: N-aminocarbonyl-2-[[5-(4-chlorophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanamide Openeye Name: N-carbamoyl-2-[[5-(4-chlorophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanamide CAS Name: N-carbamoyl-2-[[5-(4-chlorophenyl)-4-propyl-1,2,4-triazol-3-yl]thio]-3-methylbutanamide IUPAC Name: N-carbamoyl-2-[[5-(4-chlorophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-3-methylbutanamide Traditional Name: N-carbamoyl-2-[[5-(4-chlorophenyl)-4-propyl-1,2,4-triazol-3-yl]thio]-3-methyl-butyramide Formula: C17H22ClN5O2S MolecularWeight: 395.90688

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SC(C(C)C)C(=O)NC(=O)N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCN1C(=NN=C1SC(C(C)C)C(=O)NC(=O)N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H22ClN5O2S/c1-4-9-23-14(11-5-7-12(18)8-6-11)21-22-17(23)26-13(10(2)3)15(24)20-16(19)25/h5-8,10,13H,4,9H2,1-3H3,(H3,19,20,24,25)