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

Systemtic Name: 2-[[5-[(2,3-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitro-benzonitrile CAS Name: 2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]-5-nitrobenzonitrile IUPAC Name: 2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitrobenzonitrile Traditional Name: 2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]-5-nitro-benzonitrile Formula: C17H13N5O2S2 MolecularWeight: 383.44742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=NN=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=NN=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C17H13N5O2S2/c1-10-4-3-5-14(11(10)2)19-16-20-21-17(26-16)25-15-7-6-13(22(23)24)8-12(15)9-18/h3-8H,1-2H3,(H,19,20)