4-butyl-3-(phenanthridin-6-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-(phenanthridin-6-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-(phenanthridin-6-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-(6-phenanthridinylmethylthio)-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-(phenanthridin-6-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-(phenanthridin-6-ylmethylthio)-1H-1,2,4-triazol-5-one Formula: C20H20N4OS MolecularWeight: 364.464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=NC3=CC=CC=C3C4=CC=CC=C42

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=NC3=CC=CC=C3C4=CC=CC=C42

InChI

InChI=1S/C20H20N4OS/c1-2-3-12-24-19(25)22-23-20(24)26-13-18-16-10-5-4-8-14(16)15-9-6-7-11-17(15)21-18/h4-11H,2-3,12-13H2,1H3,(H,22,25)