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

Systemtic Name: 1-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-3-phenethyl-thiourea Openeye Name: 1-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)-3-phenethyl-thiourea CAS Name: 1-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-3-phenethylthiourea IUPAC Name: 1-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-3-phenethylthiourea Traditional Name: 1-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)-3-phenethyl-thiourea Formula: C13H17N5S2 MolecularWeight: 307.43758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1NC(=S)NCCC2=CC=CC=C2

Isomeric SMILES

CCC1=NNC(=S)N1NC(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C13H17N5S2/c1-2-11-15-16-13(20)18(11)17-12(19)14-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,16,20)(H2,14,17,19)