1-(4-methylpiperidin-1-yl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(4-methylpiperidin-1-yl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(4-methyl-1-piperidyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(4-methyl-1-piperidinyl)-2-[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(4-methylpiperidin-1-yl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(4-methylpiperidino)-2-[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C22H31N5OS MolecularWeight: 413.57944

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)CN4CCCC4

Isomeric SMILES

CC1CCN(CC1)C(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)CN4CCCC4

InChI

InChI=1S/C22H31N5OS/c1-17-10-14-26(15-11-17)21(28)18(2)29-22-24-23-20(16-25-12-6-7-13-25)27(22)19-8-4-3-5-9-19/h3-5,8-9,17-18H,6-7,10-16H2,1-2H3