1-(1,3-benzodioxol-5-yl)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=C3C=NC4=CC=CC=C43)NN=C2SCC(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CC1N2C(=C3C=NC4=CC=CC=C43)NN=C2SCC(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C22H18N4O3S/c27-18(13-5-8-19-20(9-13)29-12-28-19)11-30-22-25-24-21(26(22)14-6-7-14)16-10-23-17-4-2-1-3-15(16)17/h1-5,8-10,14,24H,6-7,11-12H2