(E)-2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)prop-2-enenitrile

Systemtic Name: (E)-2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)prop-2-enenitrile Openeye Name: (E)-2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)thiazol-2-yl]-3-(4-chlorophenyl)prop-2-enenitrile CAS Name: (E)-2-[4-[(1,3-benzothiazol-2-ylthio)methyl]-2-thiazolyl]-3-(4-chlorophenyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)prop-2-enenitrile Traditional Name: (E)-2-[4-[(1,3-benzothiazol-2-ylthio)methyl]thiazol-2-yl]-3-(4-chlorophenyl)acrylonitrile Formula: C20H12ClN3S3 MolecularWeight: 425.97738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=CSC(=N3)C(=CC4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=CSC(=N3)/C(=C/C4=CC=C(C=C4)Cl)/C#N

InChI

InChI=1S/C20H12ClN3S3/c21-15-7-5-13(6-8-15)9-14(10-22)19-23-16(11-25-19)12-26-20-24-17-3-1-2-4-18(17)27-20/h1-9,11H,12H2/b14-9+