2-(1,3-benzothiazol-2-ylsulfanyl)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-[4-(4-chlorobenzyl)oxy-3-methoxy-phenyl]acrylonitrile Formula: C24H17ClN2O2S2 MolecularWeight: 464.98698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)OCC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)OCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H17ClN2O2S2/c1-28-22-13-17(8-11-21(22)29-15-16-6-9-18(25)10-7-16)12-19(14-26)30-24-27-20-4-2-3-5-23(20)31-24/h2-13H,15H2,1H3