2-[[(5Z)-4-(4-ethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[(5Z)-4-(4-ethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[(5Z)-4-(4-ethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[(5Z)-4-(4-ethoxyphenyl)-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[(5Z)-4-(4-ethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[(5Z)-5-indol-3-ylidene-4-p-phenetyl-1H-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C24H25N5O2S MolecularWeight: 447.5526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=C3C=NC4=CC=CC=C43)NN=C2SCC(=O)N5CCCC5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2/C(=C\3/C=NC4=CC=CC=C43)/NN=C2SCC(=O)N5CCCC5

InChI

InChI=1S/C24H25N5O2S/c1-2-31-18-11-9-17(10-12-18)29-23(20-15-25-21-8-4-3-7-19(20)21)26-27-24(29)32-16-22(30)28-13-5-6-14-28/h3-4,7-12,15,26H,2,5-6,13-14,16H2,1H3/b23-20-