2-(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)-3-(3,4-dimethoxyphenyl)propanethioamide

Systemtic Name: 2-(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)-3-(3,4-dimethoxyphenyl)propanethioamide Openeye Name: 2-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)-3-(3,4-dimethoxyphenyl)propanethioamide CAS Name: 2-[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]-3-(3,4-dimethoxyphenyl)propanethioamide IUPAC Name: 2-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)-3-(3,4-dimethoxyphenyl)propanethioamide Traditional Name: 2-[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]-3-(3,4-dimethoxyphenyl)thiopropionamide Formula: C14H19N5O2S2 MolecularWeight: 353.46296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(C(=S)N)N2C(=NC(=N2)SC)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(C(=S)N)N2C(=NC(=N2)SC)N)OC

InChI

InChI=1S/C14H19N5O2S2/c1-20-10-5-4-8(7-11(10)21-2)6-9(12(15)22)19-13(16)17-14(18-19)23-3/h4-5,7,9H,6H2,1-3H3,(H2,15,22)(H2,16,17,18)