N-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide CAS Name: N-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide Formula: C16H21N5O2S2 MolecularWeight: 379.50024

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)CSC1=NN=C(N1C2CC2)C3=CC=CS3

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)CSC1=NN=C(N1C2CC2)C3=CC=CS3

InChI

InChI=1S/C16H21N5O2S2/c1-3-10(2)17-15(23)18-13(22)9-25-16-20-19-14(12-5-4-8-24-12)21(16)11-6-7-11/h4-5,8,10-11H,3,6-7,9H2,1-2H3,(H2,17,18,22,23)/t10-/m0/s1