2-(1,3-benzothiazol-2-yl)-4-[2,5-bis(chloranyl)phenyl]sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[2,5-bis(chloranyl)phenyl]sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-(2,5-dichlorophenyl)sulfanyl-3-oxo-butanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[(2,5-dichlorophenyl)thio]-3-oxobutanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-(2,5-dichlorophenyl)sulfanyl-3-oxobutanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(2,5-dichlorophenyl)thio]-3-keto-butyronitrile Formula: C17H10Cl2N2OS2 MolecularWeight: 393.3101

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(C#N)C(=O)CSC3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(C#N)C(=O)CSC3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C17H10Cl2N2OS2/c18-10-5-6-12(19)16(7-10)23-9-14(22)11(8-20)17-21-13-3-1-2-4-15(13)24-17/h1-7,11H,9H2