[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone Traditional Name: [1-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]-(4-piperonylpiperazino)methanone Formula: C25H23N5O3S MolecularWeight: 473.54682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=NN(C(=N4)C5=CC=CS5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=NN(C(=N4)C5=CC=CS5)C6=CC=CC=C6

InChI

InChI=1S/C25H23N5O3S/c31-25(23-26-24(22-7-4-14-34-22)30(27-23)19-5-2-1-3-6-19)29-12-10-28(11-13-29)16-18-8-9-20-21(15-18)33-17-32-20/h1-9,14-15H,10-13,16-17H2