1-tert-butyl-3-[3-[(4-ethoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]urea

Systemtic Name: 1-tert-butyl-3-[3-[(4-ethoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]urea Openeye Name: 1-tert-butyl-3-[3-[(4-ethoxyphenyl)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]urea CAS Name: 1-tert-butyl-3-[3-[(4-ethoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]urea IUPAC Name: 1-tert-butyl-3-[3-[(4-ethoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]urea Traditional Name: 1-tert-butyl-3-[3-(4-ethoxybenzyl)-5-thioxo-1H-1,2,4-triazol-4-yl]urea Formula: C16H23N5O2S MolecularWeight: 349.45112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC2=NNC(=S)N2NC(=O)NC(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CC2=NNC(=S)N2NC(=O)NC(C)(C)C

InChI

InChI=1S/C16H23N5O2S/c1-5-23-12-8-6-11(7-9-12)10-13-18-19-15(24)21(13)20-14(22)17-16(2,3)4/h6-9H,5,10H2,1-4H3,(H,19,24)(H2,17,20,22)