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

Systemtic Name: N-cyclopropyl-2-[[3-cyclopropyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]ethanamide Openeye Name: 2-[(4-benzyl-3-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-amino]-N-cyclopropyl-acetamide CAS Name: N-cyclopropyl-2-[[3-cyclopropyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]acetamide IUPAC Name: 2-[(4-benzyl-3-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methylamino]-N-cyclopropylacetamide Traditional Name: 2-[(4-benzyl-3-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-amino]-N-cyclopropyl-acetamide Formula: C19H25N5OS MolecularWeight: 371.4997

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1CC1)CN2C(=S)N(C(=N2)C3CC3)CC4=CC=CC=C4

Isomeric SMILES

CN(CC(=O)NC1CC1)CN2C(=S)N(C(=N2)C3CC3)CC4=CC=CC=C4

InChI

InChI=1S/C19H25N5OS/c1-22(12-17(25)20-16-9-10-16)13-24-19(26)23(18(21-24)15-7-8-15)11-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3,(H,20,25)