2-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-ethylpiperidin-1-yl)ethanone

Systemtic Name: 2-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-ethylpiperidin-1-yl)ethanone Openeye Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-ethyl-1-piperidyl)ethanone CAS Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(2-ethyl-1-piperidinyl)ethanone IUPAC Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-ethylpiperidin-1-yl)ethanone Traditional Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(2-ethylpiperidino)ethanone Formula: C18H25N5O2S MolecularWeight: 375.4884

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC1CCCCN1C(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H25N5O2S/c1-3-14-6-4-5-11-22(14)16(24)12-26-18-21-20-17(23(18)19)13-7-9-15(25-2)10-8-13/h7-10,14H,3-6,11-12,19H2,1-2H3