3-(1,3-benzoxazol-2-ylmethylsulfanyl)-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-(1,3-benzoxazol-2-ylmethylsulfanyl)-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-(1,3-benzoxazol-2-ylmethylsulfanyl)-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-(1,3-benzoxazol-2-ylmethylthio)-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-(1,3-benzoxazol-2-ylmethylsulfanyl)-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-(1,3-benzoxazol-2-ylmethylthio)-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C18H16N4O2S/c23-17-20-21-18(22(17)11-10-13-6-2-1-3-7-13)25-12-16-19-14-8-4-5-9-15(14)24-16/h1-9H,10-12H2,(H,20,23)