methyl 2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate

Systemtic Name: methyl 2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate Openeye Name: methyl 2-[(5-isopropyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate CAS Name: 2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate Traditional Name: 2-[(5-isopropyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]propionic acid methyl ester Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2C3=C1N=C(N=N3)SC(C)C(=O)OC

Isomeric SMILES

CC(C)N1C2=CC=CC=C2C3=C1N=C(N=N3)SC(C)C(=O)OC

InChI

InChI=1S/C16H18N4O2S/c1-9(2)20-12-8-6-5-7-11(12)13-14(20)17-16(19-18-13)23-10(3)15(21)22-4/h5-10H,1-4H3