3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-(2-indan-5-yl-2-oxo-ethyl)sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2-indan-5-yl-2-keto-ethyl)thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(=O)CSC3=NNC(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(=O)CSC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O2S/c25-19(18-10-9-16-7-4-8-17(16)13-18)14-27-21-23-22-20(26)24(21)12-11-15-5-2-1-3-6-15/h1-3,5-6,9-10,13H,4,7-8,11-12,14H2,(H,22,26)