3-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile Formula: C16H14N4S3 MolecularWeight: 358.50416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NN=C(S2)NCCC3=CC=CS3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NN=C(S2)NCCC3=CC=CS3)C#N

InChI

InChI=1S/C16H14N4S3/c17-10-12-3-1-4-13(9-12)11-22-16-20-19-15(23-16)18-7-6-14-5-2-8-21-14/h1-5,8-9H,6-7,11H2,(H,18,19)