1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(4-allyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(4-allyl-1,2,4-triazol-3-yl)thio]-1-[4-(4-methoxyphenyl)piperazino]ethanone Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NN=CN3CC=C

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NN=CN3CC=C

InChI

InChI=1S/C18H23N5O2S/c1-3-8-23-14-19-20-18(23)26-13-17(24)22-11-9-21(10-12-22)15-4-6-16(25-2)7-5-15/h3-7,14H,1,8-13H2,2H3