2-(1,3-benzothiazol-2-ylsulfanyl)-2-(4-thiophen-2-ylcarbonylphenyl)ethanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-2-(4-thiophen-2-ylcarbonylphenyl)ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-2-[4-(thiophene-2-carbonyl)phenyl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-2-[4-[oxo(thiophen-2-yl)methyl]phenyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-2-[4-(thiophene-2-carbonyl)phenyl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-2-[4-(2-thenoyl)phenyl]acetonitrile Formula: C20H12N2OS3 MolecularWeight: 392.51708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC(C#N)C3=CC=C(C=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC(C#N)C3=CC=C(C=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C20H12N2OS3/c21-12-18(26-20-22-15-4-1-2-5-16(15)25-20)13-7-9-14(10-8-13)19(23)17-6-3-11-24-17/h1-11,18H