(2S)-N-(4-methyl-2-nitro-phenyl)-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide

Systemtic Name: (2S)-N-(4-methyl-2-nitro-phenyl)-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide Openeye Name: (2S)-N-(4-methyl-2-nitro-phenyl)-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide CAS Name: (2S)-N-(4-methyl-2-nitrophenyl)-2-phenyl-2-(1H-1,2,4-triazol-5-ylthio)acetamide IUPAC Name: (2S)-N-(4-methyl-2-nitrophenyl)-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide Traditional Name: (2S)-N-(4-methyl-2-nitro-phenyl)-2-phenyl-2-(1H-1,2,4-triazol-5-ylthio)acetamide Formula: C17H15N5O3S MolecularWeight: 369.3977

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC=NN3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)SC3=NC=NN3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O3S/c1-11-7-8-13(14(9-11)22(24)25)20-16(23)15(12-5-3-2-4-6-12)26-17-18-10-19-21-17/h2-10,15H,1H3,(H,20,23)(H,18,19,21)/t15-/m0/s1