2-[4-chloranyl-1-methyl-5-(4-methylphenyl)carbothioyl-pyrrol-2-yl]ethanenitrile

Systemtic Name: 2-[4-chloranyl-1-methyl-5-(4-methylphenyl)carbothioyl-pyrrol-2-yl]ethanenitrile Openeye Name: 2-[4-chloro-1-methyl-5-(4-methylbenzenecarbothioyl)pyrrol-2-yl]acetonitrile CAS Name: 2-[4-chloro-1-methyl-5-[(4-methylphenyl)-sulfanylidenemethyl]-2-pyrrolyl]acetonitrile IUPAC Name: 2-[4-chloro-1-methyl-5-(4-methylbenzenecarbothioyl)pyrrol-2-yl]acetonitrile Traditional Name: 2-[4-chloro-1-methyl-5-(4-methylthiobenzoyl)pyrrol-2-yl]acetonitrile Formula: C15H13ClN2S MolecularWeight: 288.79512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)C2=C(C=C(N2C)CC#N)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)C2=C(C=C(N2C)CC#N)Cl

InChI

InChI=1S/C15H13ClN2S/c1-10-3-5-11(6-4-10)15(19)14-13(16)9-12(7-8-17)18(14)2/h3-6,9H,7H2,1-2H3