4-(1,2,4-triazol-1-yl)quinoline-3-carbothioamide

Systemtic Name: 4-(1,2,4-triazol-1-yl)quinoline-3-carbothioamide Openeye Name: 4-(1,2,4-triazol-1-yl)quinoline-3-carbothioamide CAS Name: 4-(1,2,4-triazol-1-yl)-3-quinolinecarbothioamide IUPAC Name: 4-(1,2,4-triazol-1-yl)quinoline-3-carbothioamide Traditional Name: 4-(1,2,4-triazol-1-yl)quinoline-3-carbothioamide Formula: C12H9N5S MolecularWeight: 255.29836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C=N2)C(=S)N)N3C=NC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C=N2)C(=S)N)N3C=NC=N3

InChI

InChI=1S/C12H9N5S/c13-12(18)9-5-15-10-4-2-1-3-8(10)11(9)17-7-14-6-16-17/h1-7H,(H2,13,18)