2-(1,3-benzothiazol-2-ylsulfanyl)-3-(2,5-dimethyl-1-naphthalen-1-yl-pyrrol-3-yl)prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(2,5-dimethyl-1-naphthalen-1-yl-pyrrol-3-yl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[2,5-dimethyl-1-(1-naphthyl)pyrrol-3-yl]prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-[2,5-dimethyl-1-(1-naphthalenyl)-3-pyrrolyl]-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(2,5-dimethyl-1-naphthalen-1-ylpyrrol-3-yl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-[2,5-dimethyl-1-(1-naphthyl)pyrrol-3-yl]acrylonitrile Formula: C26H19N3S2 MolecularWeight: 437.57916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC3=CC=CC=C32)C)C=C(C#N)SC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC3=CC=CC=C32)C)C=C(C#N)SC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H19N3S2/c1-17-14-20(15-21(16-27)30-26-28-23-11-5-6-13-25(23)31-26)18(2)29(17)24-12-7-9-19-8-3-4-10-22(19)24/h3-15H,1-2H3