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

Systemtic Name: 4-[[5-[(2-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzonitrile CAS Name: 4-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]-3-nitrobenzonitrile IUPAC Name: 4-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitrobenzonitrile Traditional Name: 3-nitro-4-[[5-(o-anisidino)-1,3,4-thiadiazol-2-yl]thio]benzonitrile Formula: C16H11N5O3S2 MolecularWeight: 385.42024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NN=C(S2)SC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1NC2=NN=C(S2)SC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O3S2/c1-24-13-5-3-2-4-11(13)18-15-19-20-16(26-15)25-14-7-6-10(9-17)8-12(14)21(22)23/h2-8H,1H3,(H,18,19)