2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-[1-[(4-chlorophenyl)methyl]-3-indolyl]-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-[1-(4-chlorobenzyl)indol-3-yl]acrylonitrile Formula: C25H16ClN3S2 MolecularWeight: 457.99764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)C=C(C#N)SC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)C=C(C#N)SC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H16ClN3S2/c26-19-11-9-17(10-12-19)15-29-16-18(21-5-1-3-7-23(21)29)13-20(14-27)30-25-28-22-6-2-4-8-24(22)31-25/h1-13,16H,15H2