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

Systemtic Name: 4-butyl-3-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-(1-naphthylmethylsulfanyl)-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-(1-naphthalenylmethylthio)-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-(1-naphthylmethylthio)-1H-1,2,4-triazol-5-one Formula: C17H19N3OS MolecularWeight: 313.41726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C17H19N3OS/c1-2-3-11-20-16(21)18-19-17(20)22-12-14-9-6-8-13-7-4-5-10-15(13)14/h4-10H,2-3,11-12H2,1H3,(H,18,21)