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

Systemtic Name: 5-methyl-3-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-benzoxazol-2-one Openeye Name: 5-methyl-3-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-1,3-benzoxazol-2-one CAS Name: 5-methyl-3-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-benzoxazol-2-one IUPAC Name: 5-methyl-3-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-benzoxazol-2-one Traditional Name: 5-methyl-3-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-1,3-benzoxazol-2-one Formula: C17H14N4O2S MolecularWeight: 338.38366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=O)N2CC3=NNC(=S)N3C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=O)N2CC3=NNC(=S)N3C4=CC=CC=C4

InChI

InChI=1S/C17H14N4O2S/c1-11-7-8-14-13(9-11)20(17(22)23-14)10-15-18-19-16(24)21(15)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,24)