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

Systemtic Name: N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[4-(2-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[4-(2-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-2-methyl-3-nitro-benzamide Formula: C18H17N5O4S MolecularWeight: 399.42368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=NNC(=S)N2C3=CC=CC=C3OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=NNC(=S)N2C3=CC=CC=C3OC

InChI

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