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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)C=C(C#N)SC4=NC5=CC=CC=C5S4)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)C=C(C#N)SC4=NC5=CC=CC=C5S4)Cl

InChI

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