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

Systemtic Name: 3-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[(3-methylisoxazol-5-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 3-[(3-methyl-5-isoxazolyl)methylthio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[(3-methylisoxazol-5-yl)methylthio]-1H-1,2,4-triazol-5-one Formula: C14H14N4O2S MolecularWeight: 302.35156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CSC2=NNC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CC1=NOC(=C1)CSC2=NNC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C14H14N4O2S/c1-10-7-12(20-17-10)9-21-14-16-15-13(19)18(14)8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,15,19)