2-[[5-(5-chloranyl-2-methoxy-phenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl-methyl-amino]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[[5-(5-chloranyl-2-methoxy-phenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl-methyl-amino]-N-cyclopropyl-ethanamide Openeye Name: 2-[[5-(5-chloro-2-methoxy-phenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl-methyl-amino]-N-cyclopropyl-acetamide CAS Name: 2-[[5-(5-chloro-2-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl-methylamino]-N-cyclopropylacetamide IUPAC Name: 2-[[5-(5-chloro-2-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl-methylamino]-N-cyclopropylacetamide Traditional Name: 2-[[5-(5-chloro-2-methoxy-phenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl-methyl-amino]-N-cyclopropyl-acetamide Formula: C16H20ClN5O2S MolecularWeight: 381.8803

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1CC1)CN2C(=S)N=C(N2)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CN(CC(=O)NC1CC1)CN2C(=S)N=C(N2)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C16H20ClN5O2S/c1-21(8-14(23)18-11-4-5-11)9-22-16(25)19-15(20-22)12-7-10(17)3-6-13(12)24-2/h3,6-7,11H,4-5,8-9H2,1-2H3,(H,18,23)(H,19,20,25)