4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methoxyphenyl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(p-anisylthio)-1H-1,2,4-triazol-5-one Formula: C18H17N3O4S MolecularWeight: 371.41028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=NNC(=O)N2C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=NNC(=O)N2C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C18H17N3O4S/c1-23-14-5-2-12(3-6-14)11-26-18-20-19-17(22)21(18)13-4-7-15-16(10-13)25-9-8-24-15/h2-7,10H,8-9,11H2,1H3,(H,19,22)