4-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzonitrile CAS Name: 4-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-3-nitrobenzonitrile IUPAC Name: 4-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitrobenzonitrile Traditional Name: 4-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-3-nitro-benzonitrile Formula: C17H13N5O3S MolecularWeight: 367.38182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C=C(C=C2)C#N)[N+](=O)[O-])C3=CC=CC=C3OC

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C=C2)C#N)[N+](=O)[O-])C3=CC=CC=C3OC

InChI

InChI=1S/C17H13N5O3S/c1-21-16(12-5-3-4-6-14(12)25-2)19-20-17(21)26-15-8-7-11(10-18)9-13(15)22(23)24/h3-9H,1-2H3