3-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazin-5-olate

Systemtic Name: 3-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxo-ethyl]sulfanyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]thio]-1,2,4-triazin-5-olate IUPAC Name: 3-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-keto-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]thio]-1,2,4-triazin-5-olate Formula: C14H13N4O3S- MolecularWeight: 317.34302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCCN2C(=O)CSC3=NC(=CN=N3)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)OCCN2C(=O)CSC3=NC(=CN=N3)[O-]

InChI

InChI=1S/C14H14N4O3S/c1-9-2-3-11-10(6-9)18(4-5-21-11)13(20)8-22-14-16-12(19)7-15-17-14/h2-3,6-7H,4-5,8H2,1H3,(H,16,17,19)/p-1