2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-benzyl-1-piperidyl)ethanone CAS Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-benzylpiperidin-1-yl)ethanone Traditional Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-(4-benzylpiperidino)ethanone Formula: C20H23N5OS2 MolecularWeight: 413.55952

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NN=C(N3N)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NN=C(N3N)C4=CC=CS4

InChI

InChI=1S/C20H23N5OS2/c21-25-19(17-7-4-12-27-17)22-23-20(25)28-14-18(26)24-10-8-16(9-11-24)13-15-5-2-1-3-6-15/h1-7,12,16H,8-11,13-14,21H2