1-(4-ethoxyphenyl)-3-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)thiourea

Systemtic Name: 1-(4-ethoxyphenyl)-3-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)thiourea Openeye Name: 1-(4-ethoxyphenyl)-3-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)thiourea CAS Name: 1-(4-ethoxyphenyl)-3-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)thiourea IUPAC Name: 1-(4-ethoxyphenyl)-3-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)thiourea Traditional Name: 1-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)-3-p-phenetyl-thiourea Formula: C13H17N5OS2 MolecularWeight: 323.43698

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1NC(=S)NC2=CC=C(C=C2)OCC

Isomeric SMILES

CCC1=NNC(=S)N1NC(=S)NC2=CC=C(C=C2)OCC

InChI

InChI=1S/C13H17N5OS2/c1-3-11-15-16-13(21)18(11)17-12(20)14-9-5-7-10(8-6-9)19-4-2/h5-8H,3-4H2,1-2H3,(H,16,21)(H2,14,17,20)