3-[7-(2-hydroxyphenyl)-3-sulfanylidene-1,2,6,7-tetrahydro-1,2,4-triazepin-5-yl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 3-[7-(2-hydroxyphenyl)-3-sulfanylidene-1,2,6,7-tetrahydro-1,2,4-triazepin-5-yl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 2-hydroxy-3-[7-(2-hydroxyphenyl)-3-thioxo-1,2,6,7-tetrahydro-1,2,4-triazepin-5-yl]-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 2-hydroxy-3-[7-(2-hydroxyphenyl)-3-sulfanylidene-1,2,6,7-tetrahydro-1,2,4-triazepin-5-yl]-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 2-hydroxy-3-[7-(2-hydroxyphenyl)-3-sulfanylidene-1,2,6,7-tetrahydro-1,2,4-triazepin-5-yl]-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 2-hydroxy-3-[7-(2-hydroxyphenyl)-3-thioxo-1,2,6,7-tetrahydro-1,2,4-triazepin-5-yl]-1-methyl-3H-quinolin-1-ium-4-one Formula: C20H19N4O3S+ MolecularWeight: 395.45486

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C3=NC(=S)NNC(C3)C4=CC=CC=C4O)O

Isomeric SMILES

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C3=NC(=S)NNC(C3)C4=CC=CC=C4O)O

InChI

InChI=1S/C20H18N4O3S/c1-24-15-8-4-2-7-12(15)18(26)17(19(24)27)14-10-13(22-23-20(28)21-14)11-6-3-5-9-16(11)25/h2-9,13,17,22H,10H2,1H3,(H2,23,25,28)/p+1