3-(2,5-dimethylphenyl)-2-prop-2-ynylsulfanyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-(2,5-dimethylphenyl)-2-prop-2-ynylsulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(2,5-dimethylphenyl)-2-prop-2-ynylsulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(2,5-dimethylphenyl)-2-(prop-2-ynylthio)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(2,5-dimethylphenyl)-2-prop-2-ynylsulfanyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(2,5-dimethylphenyl)-2-(propargylthio)-5H-pyrimid[5,4-b]indol-4-one Formula: C21H17N3OS MolecularWeight: 359.44418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC#C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC#C

InChI

InChI=1S/C21H17N3OS/c1-4-11-26-21-23-18-15-7-5-6-8-16(15)22-19(18)20(25)24(21)17-12-13(2)9-10-14(17)3/h1,5-10,12,22H,11H2,2-3H3