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

Systemtic Name: 2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[5-(3-indolylidene)-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C25H28N6O2S MolecularWeight: 476.59382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COCCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C25H28N6O2S/c1-33-16-15-31-24(21-17-26-22-10-6-5-9-20(21)22)27-28-25(31)34-18-23(32)30-13-11-29(12-14-30)19-7-3-2-4-8-19/h2-10,17,27H,11-16,18H2,1H3