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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[3-[(4-methylphenyl)methoxy]phenyl]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[3-(p-tolylmethoxy)phenyl]prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-[3-[(4-methylphenyl)methoxy]phenyl]-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[3-[(4-methylphenyl)methoxy]phenyl]prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-[3-(4-methylbenzyl)oxyphenyl]acrylonitrile Formula: C24H18N2OS2 MolecularWeight: 414.54252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=CC=CC(=C2)C=C(C#N)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)COC2=CC=CC(=C2)C=C(C#N)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H18N2OS2/c1-17-9-11-18(12-10-17)16-27-20-6-4-5-19(13-20)14-21(15-25)28-24-26-22-7-2-3-8-23(22)29-24/h2-14H,16H2,1H3