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

Systemtic Name: 1-(7-ethyl-1H-indol-3-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(4-allyl-5-phenyl-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-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(7-ethyl-1H-indol-3-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(7-ethyl-1H-indol-3-yl)ethanone Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4OS/c1-3-13-27-22(17-9-6-5-7-10-17)25-26-23(27)29-15-20(28)19-14-24-21-16(4-2)11-8-12-18(19)21/h3,5-12,14,24H,1,4,13,15H2,2H3