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

Systemtic Name: 2-methyl-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)-2-methyl-3-nitro-benzamide CAS Name: 2-methyl-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)-2-methyl-3-nitrobenzamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-2-methyl-3-nitro-benzamide Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NN2C(=NN=C2SCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NN2C(=NN=C2SCC3=CC=CC=C3)C

InChI

InChI=1S/C18H17N5O3S/c1-12-15(9-6-10-16(12)23(25)26)17(24)21-22-13(2)19-20-18(22)27-11-14-7-4-3-5-8-14/h3-10H,11H2,1-2H3,(H,21,24)