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

Systemtic Name: 1-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-3-(4-phenoxyphenyl)thiourea Openeye Name: 1-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)-3-(4-phenoxyphenyl)thiourea CAS Name: 1-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-3-(4-phenoxyphenyl)thiourea IUPAC Name: 1-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-3-(4-phenoxyphenyl)thiourea Traditional Name: 1-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)-3-(4-phenoxyphenyl)thiourea Formula: C17H17N5OS2 MolecularWeight: 371.47978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CCC1=NNC(=S)N1NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C17H17N5OS2/c1-2-15-19-20-17(25)22(15)21-16(24)18-12-8-10-14(11-9-12)23-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,20,25)(H2,18,21,24)