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

Systemtic Name: 3-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile Formula: C17H14N4S2 MolecularWeight: 338.44986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NN=C(S2)SCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NN=C(S2)SCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H14N4S2/c18-10-14-7-4-8-15(9-14)12-22-17-21-20-16(23-17)19-11-13-5-2-1-3-6-13/h1-9H,11-12H2,(H,19,20)