N-cyclopropyl-2-[4-[[3-cyclopropyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[[3-cyclopropyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]ethanamide Openeye Name: 2-[4-[(4-benzyl-3-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]-N-cyclopropyl-acetamide CAS Name: N-cyclopropyl-2-[4-[[3-cyclopropyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]acetamide IUPAC Name: 2-[4-[(4-benzyl-3-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[(4-benzyl-3-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazino]-N-cyclopropyl-acetamide Formula: C22H30N6OS MolecularWeight: 426.5782

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=S)N2CC3=CC=CC=C3)CN4CCN(CC4)CC(=O)NC5CC5

Isomeric SMILES

C1CC1C2=NN(C(=S)N2CC3=CC=CC=C3)CN4CCN(CC4)CC(=O)NC5CC5

InChI

InChI=1S/C22H30N6OS/c29-20(23-19-8-9-19)15-25-10-12-26(13-11-25)16-28-22(30)27(21(24-28)18-6-7-18)14-17-4-2-1-3-5-17/h1-5,18-19H,6-16H2,(H,23,29)