4-[4-[(3-cyclopropyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[(3-cyclopropyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[(4-allyl-3-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[(3-cyclopropyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[(3-cyclopropyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[(4-allyl-3-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C19H27N7O3S2 MolecularWeight: 465.59278

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)CN3C(=S)N(C(=N3)C4CC4)CC=C

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)CN3C(=S)N(C(=N3)C4CC4)CC=C

InChI

InChI=1S/C19H27N7O3S2/c1-3-6-25-18(14-4-5-14)21-26(19(25)30)13-23-7-9-24(10-8-23)31(28,29)15-11-16(17(20)27)22(2)12-15/h3,11-12,14H,1,4-10,13H2,2H3,(H2,20,27)