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

Systemtic Name: 3-methyl-4-nitro-N-[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]benzamide Openeye Name: N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-3-methyl-4-nitro-benzamide CAS Name: 3-methyl-4-nitro-N-[3-(phenylmethylthio)-1H-1,2,4-triazol-5-yl]benzamide IUPAC Name: N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-3-methyl-4-nitrobenzamide Traditional Name: N-[3-(benzylthio)-1H-1,2,4-triazol-5-yl]-3-methyl-4-nitro-benzamide Formula: C17H15N5O3S MolecularWeight: 369.3977

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=NC(=NN2)SCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=NC(=NN2)SCC3=CC=CC=C3)[N+](=O)[O-]

InChI

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