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

Systemtic Name: N-aminocarbonyl-3-methyl-2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide Openeye Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoyl-3-methyl-butanamide CAS Name: N-carbamoyl-3-methyl-2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoyl-3-methylbutanamide Traditional Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]-N-carbamoyl-3-methyl-butyramide Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)SC1=NN=C(N1C)CC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)SC1=NN=C(N1C)CC2=CC=CC=C2

InChI

InChI=1S/C16H21N5O2S/c1-10(2)13(14(22)18-15(17)23)24-16-20-19-12(21(16)3)9-11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3,(H3,17,18,22,23)