N-[4-[2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanoyl]phenyl]propanamide

Systemtic Name: N-[4-[2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanoyl]phenyl]propanamide Openeye Name: N-[4-[2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]phenyl]propanamide CAS Name: N-[4-[2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-1-oxoethyl]phenyl]propanamide IUPAC Name: N-[4-[2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]phenyl]propanamide Traditional Name: N-[4-[2-[(5-ethyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]acetyl]phenyl]propionamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=C(C4=CC=CC=C4N3CC)N=N2

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=C(C4=CC=CC=C4N3CC)N=N2

InChI

InChI=1S/C22H21N5O2S/c1-3-19(29)23-15-11-9-14(10-12-15)18(28)13-30-22-24-21-20(25-26-22)16-7-5-6-8-17(16)27(21)4-2/h5-12H,3-4,13H2,1-2H3,(H,23,29)