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

Systemtic Name: 2-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone Openeye Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methyl-1-piperidyl)ethanone CAS Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(3-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone Traditional Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(3-methylpiperidino)ethanone Formula: C17H23N5O2S MolecularWeight: 361.46182

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1CCCN(C1)C(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C17H23N5O2S/c1-12-4-3-9-21(10-12)15(23)11-25-17-20-19-16(22(17)18)13-5-7-14(24-2)8-6-13/h5-8,12H,3-4,9-11,18H2,1-2H3