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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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