N-(2-cyanophenyl)-3-[(8-methyl-5H-pyridazino[4,5-b]indol-4-yl)sulfanyl]propanamide

Systemtic Name: N-(2-cyanophenyl)-3-[(8-methyl-5H-pyridazino[4,5-b]indol-4-yl)sulfanyl]propanamide Openeye Name: N-(2-cyanophenyl)-3-[(8-methyl-5H-pyridazino[4,5-b]indol-4-yl)sulfanyl]propanamide CAS Name: N-(2-cyanophenyl)-3-[(8-methyl-5H-pyridazino[4,5-b]indol-4-yl)thio]propanamide IUPAC Name: N-(2-cyanophenyl)-3-[(8-methyl-5H-pyridazino[4,5-b]indol-4-yl)sulfanyl]propanamide Traditional Name: N-(2-cyanophenyl)-3-[(8-methyl-5H-pyridazin[4,5-b]indol-4-yl)thio]propionamide Formula: C21H17N5OS MolecularWeight: 387.45758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C(N=NC=C23)SCCC(=O)NC4=CC=CC=C4C#N

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C(N=NC=C23)SCCC(=O)NC4=CC=CC=C4C#N

InChI

InChI=1S/C21H17N5OS/c1-13-6-7-18-15(10-13)16-12-23-26-21(20(16)25-18)28-9-8-19(27)24-17-5-3-2-4-14(17)11-22/h2-7,10,12,25H,8-9H2,1H3,(H,24,27)