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

Systemtic Name: 1-[4-(phenylmethyl)piperazin-1-yl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-benzylpiperazin-1-yl)propan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperazinyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-benzylpiperazino)propan-1-one Formula: C24H28N6OS MolecularWeight: 448.58372

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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=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H28N6OS/c1-3-13-30-22(21-9-11-25-12-10-21)26-27-24(30)32-19(2)23(31)29-16-14-28(15-17-29)18-20-7-5-4-6-8-20/h3-12,19H,1,13-18H2,2H3