4-butyl-3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[[5-(3-chlorophenyl)oxazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[5-(3-chlorophenyl)-2-oxazolyl]methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[5-(3-chlorophenyl)oxazol-2-yl]methylthio]-1H-1,2,4-triazol-5-one Formula: C16H17ClN4O2S MolecularWeight: 364.84978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=NC=C(O2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=NC=C(O2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H17ClN4O2S/c1-2-3-7-21-15(22)19-20-16(21)24-10-14-18-9-13(23-14)11-5-4-6-12(17)8-11/h4-6,8-9H,2-3,7,10H2,1H3,(H,19,22)