1-[4-(phenylmethyl)piperazin-1-yl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: 1-[4-(phenylmethyl)piperazin-1-yl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-benzylpiperazin-1-yl)propan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperazinyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-benzylpiperazino)propan-1-one Formula: C25H29N5OS MolecularWeight: 447.59566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=NN=C(N3CC=C)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=NN=C(N3CC=C)C4=CC=CC=C4

InChI

InChI=1S/C25H29N5OS/c1-3-14-30-23(22-12-8-5-9-13-22)26-27-25(30)32-20(2)24(31)29-17-15-28(16-18-29)19-21-10-6-4-7-11-21/h3-13,20H,1,14-19H2,2H3