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

Systemtic Name: 5,5-diethyl-3-(phenylmethyl)-2-prop-2-enylsulfanyl-6H-benzo[h]quinazolin-4-one Openeye Name: 2-allylsulfanyl-3-benzyl-5,5-diethyl-6H-benzo[h]quinazolin-4-one CAS Name: 5,5-diethyl-3-(phenylmethyl)-2-(prop-2-enylthio)-6H-benzo[h]quinazolin-4-one IUPAC Name: 3-benzyl-5,5-diethyl-2-prop-2-enylsulfanyl-6H-benzo[h]quinazolin-4-one Traditional Name: 2-(allylthio)-3-benzyl-5,5-diethyl-6H-benzo[h]quinazolin-4-one Formula: C26H28N2OS MolecularWeight: 416.57832

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2OS/c1-4-16-30-25-27-23-21-15-11-10-14-20(21)17-26(5-2,6-3)22(23)24(29)28(25)18-19-12-8-7-9-13-19/h4,7-15H,1,5-6,16-18H2,2-3H3