6-indol-3-ylidene-4-(3-methyl-5-oxidanylidene-1,4-dihydropyrazol-4-yl)-2-sulfanylidene-1,3-diazinane-4-carboxylic acid

Systemtic Name: 6-indol-3-ylidene-4-(3-methyl-5-oxidanylidene-1,4-dihydropyrazol-4-yl)-2-sulfanylidene-1,3-diazinane-4-carboxylic acid Openeye Name: 6-indol-3-ylidene-4-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-2-thioxo-hexahydropyrimidine-4-carboxylic acid CAS Name: 6-(3-indolylidene)-4-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-2-sulfanylidene-1,3-diazinane-4-carboxylic acid IUPAC Name: 6-indol-3-ylidene-4-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-2-sulfanylidene-1,3-diazinane-4-carboxylic acid Traditional Name: 6-indol-3-ylidene-4-(3-keto-5-methyl-2-pyrazolin-4-yl)-2-thioxo-hexahydropyrimidine-4-carboxylic acid Formula: C17H15N5O3S MolecularWeight: 369.3977

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)C1C2(CC(=C3C=NC4=CC=CC=C43)NC(=S)N2)C(=O)O

Isomeric SMILES

CC1=NNC(=O)C1C2(CC(=C3C=NC4=CC=CC=C43)NC(=S)N2)C(=O)O

InChI

InChI=1S/C17H15N5O3S/c1-8-13(14(23)22-21-8)17(15(24)25)6-12(19-16(26)20-17)10-7-18-11-5-3-2-4-9(10)11/h2-5,7,13H,6H2,1H3,(H,22,23)(H,24,25)(H2,19,20,26)