3,5-bis(pyridin-3-ylmethylsulfanyl)-1,2-thiazole-4-carbonitrile

Systemtic Name: 3,5-bis(pyridin-3-ylmethylsulfanyl)-1,2-thiazole-4-carbonitrile Openeye Name: 3,5-bis(3-pyridylmethylsulfanyl)isothiazole-4-carbonitrile CAS Name: 3,5-bis(3-pyridinylmethylthio)-4-isothiazolecarbonitrile IUPAC Name: 3,5-bis(pyridin-3-ylmethylsulfanyl)-1,2-thiazole-4-carbonitrile Traditional Name: 3,5-bis(3-pyridylmethylthio)isothiazole-4-carbonitrile Formula: C16H12N4S3 MolecularWeight: 356.48828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CSC2=C(C(=NS2)SCC3=CN=CC=C3)C#N

Isomeric SMILES

C1=CC(=CN=C1)CSC2=C(C(=NS2)SCC3=CN=CC=C3)C#N

InChI

InChI=1S/C16H12N4S3/c17-7-14-15(21-10-12-3-1-5-18-8-12)20-23-16(14)22-11-13-4-2-6-19-9-13/h1-6,8-9H,10-11H2