4-methyl-3-nitro-N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide

Systemtic Name: 4-methyl-3-nitro-N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide Openeye Name: 4-methyl-3-nitro-N-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]benzamide CAS Name: 4-methyl-3-nitro-N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide IUPAC Name: 4-methyl-3-nitro-N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide Traditional Name: 4-methyl-3-nitro-N-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]benzamide Formula: C17H15N5O3S MolecularWeight: 369.3977

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC2=NNC(=S)N2C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC2=NNC(=S)N2C3=CC=CC=C3)[N+](=O)[O-]

InChI

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