2-[4-bromanyl-5-(4-methylphenyl)carbothioyl-1H-pyrrol-2-yl]ethanenitrile

Systemtic Name: 2-[4-bromanyl-5-(4-methylphenyl)carbothioyl-1H-pyrrol-2-yl]ethanenitrile Openeye Name: 2-[4-bromo-5-(4-methylbenzenecarbothioyl)-1H-pyrrol-2-yl]acetonitrile CAS Name: 2-[4-bromo-5-[(4-methylphenyl)-sulfanylidenemethyl]-1H-pyrrol-2-yl]acetonitrile IUPAC Name: 2-[4-bromo-5-(4-methylbenzenecarbothioyl)-1H-pyrrol-2-yl]acetonitrile Traditional Name: 2-[4-bromo-5-(4-methylthiobenzoyl)-1H-pyrrol-2-yl]acetonitrile Formula: C14H11BrN2S MolecularWeight: 319.21954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)C2=C(C=C(N2)CC#N)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)C2=C(C=C(N2)CC#N)Br

InChI

InChI=1S/C14H11BrN2S/c1-9-2-4-10(5-3-9)14(18)13-12(15)8-11(17-13)6-7-16/h2-5,8,17H,6H2,1H3