N-(3-chloranyl-2-methyl-phenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)thio]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[(8-methyl-5H-pyrimid[5,4-b]indol-4-yl)thio]acetamide Formula: C20H17ClN4OS MolecularWeight: 396.89318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C2N=CN=C3SCC(=O)NC4=C(C(=CC=C4)Cl)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C2N=CN=C3SCC(=O)NC4=C(C(=CC=C4)Cl)C

InChI

InChI=1S/C20H17ClN4OS/c1-11-6-7-16-13(8-11)18-19(25-16)20(23-10-22-18)27-9-17(26)24-15-5-3-4-14(21)12(15)2/h3-8,10,25H,9H2,1-2H3,(H,24,26)