N-(3-cyanophenyl)-2,5-dihydropyrrole-1-carbothioamide

Systemtic Name: N-(3-cyanophenyl)-2,5-dihydropyrrole-1-carbothioamide Openeye Name: N-(3-cyanophenyl)-2,5-dihydropyrrole-1-carbothioamide CAS Name: N-(3-cyanophenyl)-2,5-dihydropyrrole-1-carbothioamide IUPAC Name: N-(3-cyanophenyl)-2,5-dihydropyrrole-1-carbothioamide Traditional Name: N-(3-cyanophenyl)-3-pyrroline-1-carbothioamide Formula: C12H11N3S MolecularWeight: 229.30084

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCN1C(=S)NC2=CC=CC(=C2)C#N

Isomeric SMILES

C1C=CCN1C(=S)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C12H11N3S/c13-9-10-4-3-5-11(8-10)14-12(16)15-6-1-2-7-15/h1-5,8H,6-7H2,(H,14,16)