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

Systemtic Name: 3,5-bis(1H-benzimidazol-2-ylmethylsulfanyl)-1,2-thiazole-4-carbonitrile Openeye Name: 3,5-bis(1H-benzimidazol-2-ylmethylsulfanyl)isothiazole-4-carbonitrile CAS Name: 3,5-bis(1H-benzimidazol-2-ylmethylthio)-4-isothiazolecarbonitrile IUPAC Name: 3,5-bis(1H-benzimidazol-2-ylmethylsulfanyl)-1,2-thiazole-4-carbonitrile Traditional Name: 3,5-bis(1H-benzimidazol-2-ylmethylthio)isothiazole-4-carbonitrile Formula: C20H14N6S3 MolecularWeight: 434.56036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CSC3=C(C(=NS3)SCC4=NC5=CC=CC=C5N4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CSC3=C(C(=NS3)SCC4=NC5=CC=CC=C5N4)C#N

InChI

InChI=1S/C20H14N6S3/c21-9-12-19(27-10-17-22-13-5-1-2-6-14(13)23-17)26-29-20(12)28-11-18-24-15-7-3-4-8-16(15)25-18/h1-8H,10-11H2,(H,22,23)(H,24,25)