2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]-3-(4-dimethylaminophenyl)propanenitrile

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]-3-(4-dimethylaminophenyl)propanenitrile Openeye Name: 2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)thiazol-2-yl]-3-(4-dimethylaminophenyl)propanenitrile CAS Name: 2-[4-[(1,3-benzothiazol-2-ylthio)methyl]-2-thiazolyl]-3-(4-dimethylaminophenyl)propanenitrile IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]-3-(4-dimethylaminophenyl)propanenitrile Traditional Name: 2-[4-[(1,3-benzothiazol-2-ylthio)methyl]thiazol-2-yl]-3-(4-dimethylaminophenyl)propionitrile Formula: C22H20N4S3 MolecularWeight: 436.616

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CC(C#N)C2=NC(=CS2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CC(C#N)C2=NC(=CS2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H20N4S3/c1-26(2)18-9-7-15(8-10-18)11-16(12-23)21-24-17(13-27-21)14-28-22-25-19-5-3-4-6-20(19)29-22/h3-10,13,16H,11,14H2,1-2H3