N-(4-bromanyl-3-methyl-phenyl)-2,5-dihydropyrrole-1-carbothioamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2,5-dihydropyrrole-1-carbothioamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2,5-dihydropyrrole-1-carbothioamide CAS Name: N-(4-bromo-3-methylphenyl)-2,5-dihydropyrrole-1-carbothioamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2,5-dihydropyrrole-1-carbothioamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-3-pyrroline-1-carbothioamide Formula: C12H13BrN2S MolecularWeight: 297.21402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)N2CC=CC2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)N2CC=CC2)Br

InChI

InChI=1S/C12H13BrN2S/c1-9-8-10(4-5-11(9)13)14-12(16)15-6-2-3-7-15/h2-5,8H,6-7H2,1H3,(H,14,16)