5-azanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylsulfanyl-1,2,4-triazole-1-carbothioamide

Systemtic Name: 5-azanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylsulfanyl-1,2,4-triazole-1-carbothioamide Openeye Name: 5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylsulfanyl-1,2,4-triazole-1-carbothioamide CAS Name: 5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(methylthio)-1,2,4-triazole-1-carbothioamide IUPAC Name: 5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylsulfanyl-1,2,4-triazole-1-carbothioamide Traditional Name: 5-amino-N-homoveratryl-3-(methylthio)-1,2,4-triazole-1-carbothioamide Formula: C14H19N5O2S2 MolecularWeight: 353.46296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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