1-ethyl-3-[2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]thiourea

Systemtic Name: 1-ethyl-3-[2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]thiourea Openeye Name: 1-ethyl-3-[[2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiourea CAS Name: 1-ethyl-3-[[2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]thiourea IUPAC Name: 1-ethyl-3-[[2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiourea Traditional Name: 1-ethyl-3-[[2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetyl]amino]thiourea Formula: C20H22N6O2S2 MolecularWeight: 442.55768

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NNC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CCNC(=S)NNC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H22N6O2S2/c1-3-21-19(29)24-22-17(27)13-30-20-25-23-18(14-7-5-4-6-8-14)26(20)15-9-11-16(28-2)12-10-15/h4-12H,3,13H2,1-2H3,(H,22,27)(H2,21,24,29)