(2R)-2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-(phenylmethyl)propanamide

Systemtic Name: (2R)-2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-(phenylmethyl)propanamide Openeye Name: (2R)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-benzyl-N-methyl-propanamide CAS Name: (2R)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-methyl-N-(phenylmethyl)propanamide IUPAC Name: (2R)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-benzyl-N-methylpropanamide Traditional Name: (2R)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-benzyl-N-methyl-propionamide Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC=CC=C1)SC2=NN=C(N2N)C3CC3

Isomeric SMILES

C[C@H](C(=O)N(C)CC1=CC=CC=C1)SC2=NN=C(N2N)C3CC3

InChI

InChI=1S/C16H21N5OS/c1-11(15(22)20(2)10-12-6-4-3-5-7-12)23-16-19-18-14(21(16)17)13-8-9-13/h3-7,11,13H,8-10,17H2,1-2H3/t11-/m1/s1