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

Systemtic Name: N-cyclopropyl-2-[4-[[4-ethyl-3-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]ethanamide Openeye Name: 2-[4-[(3-benzyl-4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]-N-cyclopropyl-acetamide CAS Name: N-cyclopropyl-2-[4-[[4-ethyl-3-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]acetamide IUPAC Name: 2-[4-[(3-benzyl-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[(3-benzyl-4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazino]-N-cyclopropyl-acetamide Formula: C21H30N6OS MolecularWeight: 414.5675

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN2CCN(CC2)CC(=O)NC3CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CCN(CC2)CC(=O)NC3CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H30N6OS/c1-2-26-19(14-17-6-4-3-5-7-17)23-27(21(26)29)16-25-12-10-24(11-13-25)15-20(28)22-18-8-9-18/h3-7,18H,2,8-16H2,1H3,(H,22,28)