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

Systemtic Name: 3-(1,3-benzoxazol-2-ylmethylsulfanyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one Openeye Name: 3-(1,3-benzoxazol-2-ylmethylsulfanyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one CAS Name: 3-(1,3-benzoxazol-2-ylmethylthio)-4-cyclopropyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-(1,3-benzoxazol-2-ylmethylsulfanyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one Traditional Name: 3-(1,3-benzoxazol-2-ylmethylthio)-4-cyclopropyl-1H-1,2,4-triazol-5-one Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)NN=C2SCC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CC1N2C(=O)NN=C2SCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C13H12N4O2S/c18-12-15-16-13(17(12)8-5-6-8)20-7-11-14-9-3-1-2-4-10(9)19-11/h1-4,8H,5-7H2,(H,15,18)