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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-[(2-chlorophenyl)methyl]-2-methyl-indol-3-yl]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-[(2-chlorophenyl)methyl]-2-methyl-indol-3-yl]prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-[1-[(2-chlorophenyl)methyl]-2-methyl-3-indolyl]-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-[1-(2-chlorobenzyl)-2-methyl-indol-3-yl]acrylonitrile Formula: C26H18ClN3S2 MolecularWeight: 472.02422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3Cl)C=C(C#N)SC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3Cl)C=C(C#N)SC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H18ClN3S2/c1-17-21(14-19(15-28)31-26-29-23-11-5-7-13-25(23)32-26)20-9-3-6-12-24(20)30(17)16-18-8-2-4-10-22(18)27/h2-14H,16H2,1H3