2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C20H27N5OS MolecularWeight: 385.52628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=NN=C(N3C)C4CC4

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=NN=C(N3C)C4CC4

InChI

InChI=1S/C20H27N5OS/c1-15(27-20-22-21-18(23(20)2)17-8-9-17)19(26)25-12-10-24(11-13-25)14-16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3