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

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-methyl-3-nitro-phenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-methyl-3-nitrophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-methyl-3-nitrophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-methyl-3-nitro-phenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C17H15N5O3S MolecularWeight: 369.3977

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=CN2C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=CN2C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O3S/c1-12-7-8-13(9-15(12)22(24)25)19-16(23)10-26-17-20-18-11-21(17)14-5-3-2-4-6-14/h2-9,11H,10H2,1H3,(H,19,23)