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

Systemtic Name: N-cyclopropyl-2-[methyl-[[4-(phenylmethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]amino]ethanamide Openeye Name: 2-[[4-benzyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-cyclopropyl-acetamide CAS Name: N-cyclopropyl-2-[methyl-[[4-(phenylmethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]amino]acetamide IUPAC Name: 2-[(4-benzyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methylamino]-N-cyclopropylacetamide Traditional Name: 2-[[4-benzyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-cyclopropyl-acetamide Formula: C21H24N6OS MolecularWeight: 408.51986

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1CC1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN(CC(=O)NC1CC1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N6OS/c1-25(14-19(28)23-18-7-8-18)15-27-21(29)26(13-16-5-3-2-4-6-16)20(24-27)17-9-11-22-12-10-17/h2-6,9-12,18H,7-8,13-15H2,1H3,(H,23,28)