5-ethyl-5-methyl-3-(phenylmethyl)-2-prop-2-enylsulfanyl-6H-benzo[h]quinazolin-4-one

Systemtic Name: 5-ethyl-5-methyl-3-(phenylmethyl)-2-prop-2-enylsulfanyl-6H-benzo[h]quinazolin-4-one Openeye Name: 2-allylsulfanyl-3-benzyl-5-ethyl-5-methyl-6H-benzo[h]quinazolin-4-one CAS Name: 5-ethyl-5-methyl-3-(phenylmethyl)-2-(prop-2-enylthio)-6H-benzo[h]quinazolin-4-one IUPAC Name: 3-benzyl-5-ethyl-5-methyl-2-prop-2-enylsulfanyl-6H-benzo[h]quinazolin-4-one Traditional Name: 2-(allylthio)-3-benzyl-5-ethyl-5-methyl-6H-benzo[h]quinazolin-4-one Formula: C25H26N2OS MolecularWeight: 402.55174

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCC=C)CC4=CC=CC=C4)C

Isomeric SMILES

CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCC=C)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H26N2OS/c1-4-15-29-24-26-22-20-14-10-9-13-19(20)16-25(3,5-2)21(22)23(28)27(24)17-18-11-7-6-8-12-18/h4,6-14H,1,5,15-17H2,2-3H3