4-butyl-3-[(3E)-2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl]sulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[(3E)-2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[(3E)-2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[(3E)-2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[(3E)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[(3E)-2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl]thio]-1H-1,2,4-triazol-5-one Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)C=C2C(C3=CC=CC=C3N2C)(C)C

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)/C=C/2\C(C3=CC=CC=C3N2C)(C)C

InChI

InChI=1S/C20H26N4O2S/c1-5-6-11-24-18(26)21-22-19(24)27-13-14(25)12-17-20(2,3)15-9-7-8-10-16(15)23(17)4/h7-10,12H,5-6,11,13H2,1-4H3,(H,21,26)/b17-12+