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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)CN3C(=S)N(C(=N3)C4CC4)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)CN3C(=S)N(C(=N3)C4CC4)C

InChI

InChI=1S/C21H30N6OS/c1-3-16-6-4-5-7-18(16)22-19(28)14-25-10-12-26(13-11-25)15-27-21(29)24(2)20(23-27)17-8-9-17/h4-7,17H,3,8-15H2,1-2H3,(H,22,28)