1-(7-ethyl-1H-indol-3-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(7-ethyl-1H-indol-3-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(7-ethyl-1H-indol-3-yl)ethanone CAS Name: 1-(7-ethyl-1H-indol-3-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(7-ethyl-1H-indol-3-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(7-ethyl-1H-indol-3-yl)ethanone Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)CSC3=NN=C(N3CC=C)C4=CC=NC=C4

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)CSC3=NN=C(N3CC=C)C4=CC=NC=C4

InChI

InChI=1S/C22H21N5OS/c1-3-12-27-21(16-8-10-23-11-9-16)25-26-22(27)29-14-19(28)18-13-24-20-15(4-2)6-5-7-17(18)20/h3,5-11,13,24H,1,4,12,14H2,2H3