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

Systemtic Name: 4-chloranyl-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-chloro-3-nitro-benzamide CAS Name: 4-chloro-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-chloro-3-nitrobenzamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-4-chloro-3-nitro-benzamide Formula: C17H14ClN5O3S MolecularWeight: 403.84276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN5O3S/c1-11-19-20-17(27-10-12-5-3-2-4-6-12)22(11)21-16(24)13-7-8-14(18)15(9-13)23(25)26/h2-9H,10H2,1H3,(H,21,24)