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

Systemtic Name: 2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone Openeye Name: 2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone CAS Name: 2-[[5-(3-indolylidene)-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

COCCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H22N4O3S/c1-28-12-11-26-21(18-13-23-19-6-4-3-5-17(18)19)24-25-22(26)30-14-20(27)15-7-9-16(29-2)10-8-15/h3-10,13,24H,11-12,14H2,1-2H3