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

Systemtic Name: 2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[5-(3-indolylidene)-4-methyl-1H-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)thio]-1-piperidino-ethanone Formula: C18H21N5OS MolecularWeight: 355.45724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)N4CCCCC4

Isomeric SMILES

CN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)N4CCCCC4

InChI

InChI=1S/C18H21N5OS/c1-22-17(14-11-19-15-8-4-3-7-13(14)15)20-21-18(22)25-12-16(24)23-9-5-2-6-10-23/h3-4,7-8,11,20H,2,5-6,9-10,12H2,1H3