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

Systemtic Name: 4-methoxy-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-3-nitro-benzamide Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-4-methoxy-3-nitro-benzamide CAS Name: 4-methoxy-N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-3-nitrobenzamide IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-4-methoxy-3-nitrobenzamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-4-methoxy-3-nitro-benzamide Formula: C18H17N5O4S MolecularWeight: 399.42368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])SCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])SCC3=CC=CC=C3

InChI

InChI=1S/C18H17N5O4S/c1-12-19-20-18(28-11-13-6-4-3-5-7-13)22(12)21-17(24)14-8-9-16(27-2)15(10-14)23(25)26/h3-10H,11H2,1-2H3,(H,21,24)