5-azanyl-3-(4-chloranyl-2-propoxy-phenyl)-N-methyl-1,2,4-triazole-1-carbothioamide

Systemtic Name: 5-azanyl-3-(4-chloranyl-2-propoxy-phenyl)-N-methyl-1,2,4-triazole-1-carbothioamide Openeye Name: 5-amino-3-(4-chloro-2-propoxy-phenyl)-N-methyl-1,2,4-triazole-1-carbothioamide CAS Name: 5-amino-3-(4-chloro-2-propoxyphenyl)-N-methyl-1,2,4-triazole-1-carbothioamide IUPAC Name: 5-amino-3-(4-chloro-2-propoxyphenyl)-N-methyl-1,2,4-triazole-1-carbothioamide Traditional Name: 5-amino-3-(4-chloro-2-propoxy-phenyl)-N-methyl-1,2,4-triazole-1-carbothioamide Formula: C13H16ClN5OS MolecularWeight: 325.81704

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)Cl)C2=NN(C(=N2)N)C(=S)NC

Isomeric SMILES

CCCOC1=C(C=CC(=C1)Cl)C2=NN(C(=N2)N)C(=S)NC

InChI

InChI=1S/C13H16ClN5OS/c1-3-6-20-10-7-8(14)4-5-9(10)11-17-12(15)19(18-11)13(21)16-2/h4-5,7H,3,6H2,1-2H3,(H,16,21)(H2,15,17,18)