4-(6-indol-3-ylidene-3-sulfanylidene-1,2-diazinan-4-yl)-3-methyl-1,4-dihydropyrazol-5-one

Systemtic Name: 4-(6-indol-3-ylidene-3-sulfanylidene-1,2-diazinan-4-yl)-3-methyl-1,4-dihydropyrazol-5-one Openeye Name: 4-(6-indol-3-ylidene-3-thioxo-hexahydropyridazin-4-yl)-3-methyl-1,4-dihydropyrazol-5-one CAS Name: 4-[6-(3-indolylidene)-3-sulfanylidene-4-diazinanyl]-3-methyl-1,4-dihydropyrazol-5-one IUPAC Name: 4-(6-indol-3-ylidene-3-sulfanylidenediazinan-4-yl)-3-methyl-1,4-dihydropyrazol-5-one Traditional Name: 4-(6-indol-3-ylidene-3-thioxo-hexahydropyridazin-4-yl)-5-methyl-2-pyrazolin-3-one Formula: C16H15N5OS MolecularWeight: 325.3882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)C1C2CC(=C3C=NC4=CC=CC=C43)NNC2=S

Isomeric SMILES

CC1=NNC(=O)C1C2CC(=C3C=NC4=CC=CC=C43)NNC2=S

InChI

InChI=1S/C16H15N5OS/c1-8-14(15(22)20-18-8)10-6-13(19-21-16(10)23)11-7-17-12-5-3-2-4-9(11)12/h2-5,7,10,14,19H,6H2,1H3,(H,20,22)(H,21,23)