1-cyclopentyl-2-prop-2-ynylsulfanyl-spiro[5H-benzo[h]quinazoline-6,1'-cyclohexane]-4-one

Systemtic Name: 1-cyclopentyl-2-prop-2-ynylsulfanyl-spiro[5H-benzo[h]quinazoline-6,1'-cyclohexane]-4-one Openeye Name: 1-cyclopentyl-2-prop-2-ynylsulfanyl-spiro[5H-benzo[h]quinazoline-6,1'-cyclohexane]-4-one CAS Name: 1-cyclopentyl-2-(prop-2-ynylthio)-4-spiro[5H-benzo[h]quinazoline-6,1'-cyclohexane]one IUPAC Name: 1-cyclopentyl-2-prop-2-ynylsulfanylspiro[5H-benzo[h]quinazoline-6,1'-cyclohexane]-4-one Traditional Name: 1-cyclopentyl-2-(propargylthio)spiro[5H-benzo[h]quinazoline-6,1'-cyclohexane]-4-one Formula: C25H28N2OS MolecularWeight: 404.56762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NC(=O)C2=C(N1C3CCCC3)C4=CC=CC=C4C5(C2)CCCCC5

Isomeric SMILES

C#CCSC1=NC(=O)C2=C(N1C3CCCC3)C4=CC=CC=C4C5(C2)CCCCC5

InChI

InChI=1S/C25H28N2OS/c1-2-16-29-24-26-23(28)20-17-25(14-8-3-9-15-25)21-13-7-6-12-19(21)22(20)27(24)18-10-4-5-11-18/h1,6-7,12-13,18H,3-5,8-11,14-17H2