(E)-1-[4-[[3-(4-chlorophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-[[3-(4-chlorophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-[[3-(4-chlorophenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]-3-(2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-[[3-(4-chlorophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]-3-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-1-[4-[[3-(4-chlorophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-1-[4-[[3-(4-chlorophenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]-3-(2-thienyl)prop-2-en-1-one Formula: C21H22ClN5OS2 MolecularWeight: 460.01528

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCN(CC2)C(=O)C=CC3=CC=CS3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCN(CC2)C(=O)/C=C/C3=CC=CS3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN5OS2/c1-24-20(16-4-6-17(22)7-5-16)23-27(21(24)29)15-25-10-12-26(13-11-25)19(28)9-8-18-3-2-14-30-18/h2-9,14H,10-13,15H2,1H3/b9-8+