3-[2-oxidanylidene-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-oxidanylidene-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-(2-oxo-2-tetralin-6-yl-ethyl)sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2-keto-2-tetralin-6-yl-ethyl)thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C22H23N3O2S MolecularWeight: 393.50192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)C(=O)CSC3=NNC(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)C(=O)CSC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2S/c26-20(19-11-10-17-8-4-5-9-18(17)14-19)15-28-22-24-23-21(27)25(22)13-12-16-6-2-1-3-7-16/h1-3,6-7,10-11,14H,4-5,8-9,12-13,15H2,(H,23,27)