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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-(o-tolylmethyl)indol-3-yl]prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-[1-[(2-methylphenyl)methyl]-3-indolyl]-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-[1-(2-methylbenzyl)indol-3-yl]acrylonitrile Formula: C26H19N3S2 MolecularWeight: 437.57916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(C3=CC=CC=C32)C=C(C#N)SC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(C3=CC=CC=C32)C=C(C#N)SC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H19N3S2/c1-18-8-2-3-9-19(18)16-29-17-20(22-10-4-6-12-24(22)29)14-21(15-27)30-26-28-23-11-5-7-13-25(23)31-26/h2-14,17H,16H2,1H3