ethyl 4-methyl-2-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetyl]amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)ethyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetyl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[[2-(5H-[1,2,4]triazin[5,6-b]indol-3-ylthio)acetyl]amino]thiazole-5-carboxylic acid ethyl ester Formula: C18H16N6O3S2 MolecularWeight: 428.48804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NC3=C(C4=CC=CC=C4N3)N=N2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NC3=C(C4=CC=CC=C4N3)N=N2)C

InChI

InChI=1S/C18H16N6O3S2/c1-3-27-16(26)14-9(2)19-17(29-14)21-12(25)8-28-18-22-15-13(23-24-18)10-6-4-5-7-11(10)20-15/h4-7H,3,8H2,1-2H3,(H,19,21,25)(H,20,22,24)