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

Systemtic Name: N-aminocarbonyl-2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanamide Openeye Name: N-carbamoyl-2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanamide CAS Name: N-carbamoyl-2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]-3-methylbutanamide IUPAC Name: N-carbamoyl-2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-methylbutanamide Traditional Name: N-carbamoyl-2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]-3-methyl-butyramide Formula: C14H16ClN5O2S MolecularWeight: 353.82714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)SC1=NNC(=N1)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)SC1=NNC(=N1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H16ClN5O2S/c1-7(2)10(12(21)18-13(16)22)23-14-17-11(19-20-14)8-3-5-9(15)6-4-8/h3-7,10H,1-2H3,(H,17,19,20)(H3,16,18,21,22)