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

Systemtic Name: 2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[5-(3-indolylidene)-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)N4CCCCC4

Isomeric SMILES

COCCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)N4CCCCC4

InChI

InChI=1S/C20H25N5O2S/c1-27-12-11-25-19(16-13-21-17-8-4-3-7-15(16)17)22-23-20(25)28-14-18(26)24-9-5-2-6-10-24/h3-4,7-8,13,22H,2,5-6,9-12,14H2,1H3