3-(1H-benzimidazol-2-ylmethylsulfanyl)-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-(1H-benzimidazol-2-ylmethylthio)-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-(1H-benzimidazol-2-ylmethylthio)-4-propyl-1H-1,2,4-triazol-5-one Formula: C13H15N5OS MolecularWeight: 289.3561

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C13H15N5OS/c1-2-7-18-12(19)16-17-13(18)20-8-11-14-9-5-3-4-6-10(9)15-11/h3-6H,2,7-8H2,1H3,(H,14,15)(H,16,19)