3-[3-(2,3-dihydroindol-1-yl)-3-oxidanylidene-propyl]sulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[3-(2,3-dihydroindol-1-yl)-3-oxidanylidene-propyl]sulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-(3-indolin-1-yl-3-oxo-propyl)sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]thio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[(3-indolin-1-yl-3-keto-propyl)thio]-1H-1,2,4-triazol-5-one Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)CCSC3=NNC(=O)N3CC4=CC=CC=C4

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)CCSC3=NNC(=O)N3CC4=CC=CC=C4

InChI

InChI=1S/C20H20N4O2S/c25-18(23-12-10-16-8-4-5-9-17(16)23)11-13-27-20-22-21-19(26)24(20)14-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,26)