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

Systemtic Name: 2-[[5-[(2,3-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile Formula: C18H16N4S2 MolecularWeight: 352.47644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=NN=C(S2)SCC3=CC=CC=C3C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=NN=C(S2)SCC3=CC=CC=C3C#N)C

InChI

InChI=1S/C18H16N4S2/c1-12-6-5-9-16(13(12)2)20-17-21-22-18(24-17)23-11-15-8-4-3-7-14(15)10-19/h3-9H,11H2,1-2H3,(H,20,21)