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

Systemtic Name: ethyl 4-methyl-2-[2-[[5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]ethanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[2-[(5-benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-[[5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]thio]ethyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(5-benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-[(5-benzyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]acetyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C25H22N6O3S2 MolecularWeight: 518.61058

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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=C4N3CC5=CC=CC=C5)N=N2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NC3=C(C4=CC=CC=C4N3CC5=CC=CC=C5)N=N2)C

InChI

InChI=1S/C25H22N6O3S2/c1-3-34-23(33)21-15(2)26-24(36-21)27-19(32)14-35-25-28-22-20(29-30-25)17-11-7-8-12-18(17)31(22)13-16-9-5-4-6-10-16/h4-12H,3,13-14H2,1-2H3,(H,26,27,32)