4-(5-methyl-1,2-oxazol-3-yl)-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(5-methyl-1,2-oxazol-3-yl)-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-benzyl-4-(5-methylisoxazol-3-yl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(5-methyl-3-isoxazolyl)-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-benzyl-4-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-benzyl-4-(5-methylisoxazol-3-yl)-1H-1,2,4-triazole-5-thione Formula: C13H12N4OS MolecularWeight: 272.32558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)N2C(=NNC2=S)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)N2C(=NNC2=S)CC3=CC=CC=C3

InChI

InChI=1S/C13H12N4OS/c1-9-7-12(16-18-9)17-11(14-15-13(17)19)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,19)