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

Systemtic Name: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 3-[(3,5-dimethyl-4-isoxazolyl)methylthio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[(3,5-dimethylisoxazol-4-yl)methylthio]-1H-1,2,4-triazol-5-one Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=NNC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=NNC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C15H16N4O2S/c1-10-13(11(2)21-18-10)9-22-15-17-16-14(20)19(15)8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,20)