(2S)-2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide CAS Name: (2S)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide IUPAC Name: (2S)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide Traditional Name: (2S)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)SC3=NN=C(N3N)C)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O3S/c1-11-8-9-14(15(10-11)24(26)27)20-17(25)16(13-6-4-3-5-7-13)28-18-22-21-12(2)23(18)19/h3-10,16H,19H2,1-2H3,(H,20,25)/t16-/m0/s1