N-(3,4-dimethylphenyl)-2,5-dihydropyrrole-1-carbothioamide

Systemtic Name: N-(3,4-dimethylphenyl)-2,5-dihydropyrrole-1-carbothioamide Openeye Name: N-(3,4-dimethylphenyl)-2,5-dihydropyrrole-1-carbothioamide CAS Name: N-(3,4-dimethylphenyl)-2,5-dihydropyrrole-1-carbothioamide IUPAC Name: N-(3,4-dimethylphenyl)-2,5-dihydropyrrole-1-carbothioamide Traditional Name: N-(3,4-dimethylphenyl)-3-pyrroline-1-carbothioamide Formula: C13H16N2S MolecularWeight: 232.34454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2S/c1-10-5-6-12(9-11(10)2)14-13(16)15-7-3-4-8-15/h3-6,9H,7-8H2,1-2H3,(H,14,16)