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

Systemtic Name: 2-[[5-[(4-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitro-benzonitrile CAS Name: 2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]-5-nitrobenzonitrile IUPAC Name: 2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitrobenzonitrile Traditional Name: 5-nitro-2-[[5-(p-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=C(C=C1)NC2=NN=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NN=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

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