N-[[(2S)-butan-2-yl]carbamoyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide CAS Name: N-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)CSC1=NN=C(N1CC=C)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)CSC1=NN=C(N1CC=C)C2=CC=CC=C2

InChI

InChI=1S/C18H23N5O2S/c1-4-11-23-16(14-9-7-6-8-10-14)21-22-18(23)26-12-15(24)20-17(25)19-13(3)5-2/h4,6-10,13H,1,5,11-12H2,2-3H3,(H2,19,20,24,25)/t13-/m0/s1