2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-prop-2-ynylpiperazin-1-yl)phenyl]ethanamide

Systemtic Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-prop-2-ynylpiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-prop-2-ynylpiperazin-1-yl)phenyl]acetamide CAS Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-[4-(4-prop-2-ynyl-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-prop-2-ynylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-[4-(4-propargylpiperazino)phenyl]acetamide Formula: C18H22N6OS MolecularWeight: 370.47188

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC#C

Isomeric SMILES

CN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC#C

InChI

InChI=1S/C18H22N6OS/c1-3-8-23-9-11-24(12-10-23)16-6-4-15(5-7-16)20-17(25)13-26-18-21-19-14-22(18)2/h1,4-7,14H,8-13H2,2H3,(H,20,25)