(2S)-N-aminocarbonyl-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-methyl-butanamide

Systemtic Name: (2S)-N-aminocarbonyl-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-methyl-butanamide Openeye Name: (2S)-2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoyl-3-methyl-butanamide CAS Name: (2S)-N-carbamoyl-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-3-methylbutanamide IUPAC Name: (2S)-N-carbamoyl-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-methylbutanamide Traditional Name: (2S)-2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-carbamoyl-3-methyl-butyramide Formula: C14H21N5O2S MolecularWeight: 323.41384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)SC1=NN=C(N1CC=C)C2CC2

Isomeric SMILES

CC(C)[C@@H](C(=O)NC(=O)N)SC1=NN=C(N1CC=C)C2CC2

InChI

InChI=1S/C14H21N5O2S/c1-4-7-19-11(9-5-6-9)17-18-14(19)22-10(8(2)3)12(20)16-13(15)21/h4,8-10H,1,5-7H2,2-3H3,(H3,15,16,20,21)/t10-/m0/s1