3-(5-chloranyl-4-cyclopentyl-2-sulfanylidene-1,4-dihydro-3,1-benzoxazin-6-yl)benzenecarbonitrile

Systemtic Name: 3-(5-chloranyl-4-cyclopentyl-2-sulfanylidene-1,4-dihydro-3,1-benzoxazin-6-yl)benzenecarbonitrile Openeye Name: 3-(5-chloro-4-cyclopentyl-2-thioxo-1,4-dihydro-3,1-benzoxazin-6-yl)benzonitrile CAS Name: 3-(5-chloro-4-cyclopentyl-2-sulfanylidene-1,4-dihydro-3,1-benzoxazin-6-yl)benzonitrile IUPAC Name: 3-(5-chloro-4-cyclopentyl-2-sulfanylidene-1,4-dihydro-3,1-benzoxazin-6-yl)benzonitrile Traditional Name: 3-(5-chloro-4-cyclopentyl-2-thioxo-1,4-dihydro-3,1-benzoxazin-6-yl)benzonitrile Formula: C20H17ClN2OS MolecularWeight: 368.87978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2C3=C(C=CC(=C3Cl)C4=CC=CC(=C4)C#N)NC(=S)O2

Isomeric SMILES

C1CCC(C1)C2C3=C(C=CC(=C3Cl)C4=CC=CC(=C4)C#N)NC(=S)O2

InChI

InChI=1S/C20H17ClN2OS/c21-18-15(14-7-3-4-12(10-14)11-22)8-9-16-17(18)19(24-20(25)23-16)13-5-1-2-6-13/h3-4,7-10,13,19H,1-2,5-6H2,(H,23,25)