4-azanyl-6-methyl-3-[2-(1-methyl-2-phenyl-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazin-5-one

Systemtic Name: 4-azanyl-6-methyl-3-[2-(1-methyl-2-phenyl-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazin-5-one Openeye Name: 4-amino-6-methyl-3-[2-(1-methyl-2-phenyl-indol-3-yl)-2-oxo-ethyl]sulfanyl-1,2,4-triazin-5-one CAS Name: 4-amino-6-methyl-3-[[2-(1-methyl-2-phenyl-3-indolyl)-2-oxoethyl]thio]-1,2,4-triazin-5-one IUPAC Name: 4-amino-6-methyl-3-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]sulfanyl-1,2,4-triazin-5-one Traditional Name: 4-amino-3-[[2-keto-2-(1-methyl-2-phenyl-indol-3-yl)ethyl]thio]-6-methyl-1,2,4-triazin-5-one Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N(C1=O)N)SCC(=O)C2=C(N(C3=CC=CC=C32)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(N(C1=O)N)SCC(=O)C2=C(N(C3=CC=CC=C32)C)C4=CC=CC=C4

InChI

InChI=1S/C21H19N5O2S/c1-13-20(28)26(22)21(24-23-13)29-12-17(27)18-15-10-6-7-11-16(15)25(2)19(18)14-8-4-3-5-9-14/h3-11H,12,22H2,1-2H3