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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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