3-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-benzoxazol-2-one Openeye Name: 3-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-benzoxazol-2-one CAS Name: 3-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]ethyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-benzoxazol-2-one Traditional Name: 3-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]ethyl]-1,3-benzoxazol-2-one Formula: C12H12N4O2S MolecularWeight: 276.31428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCCN2C3=CC=CC=C3OC2=O

Isomeric SMILES

CC1=NC(=NN1)SCCN2C3=CC=CC=C3OC2=O

InChI

InChI=1S/C12H12N4O2S/c1-8-13-11(15-14-8)19-7-6-16-9-4-2-3-5-10(9)18-12(16)17/h2-5H,6-7H2,1H3,(H,13,14,15)