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

Systemtic Name: 1-tert-butyl-3-[3-[(4-propan-2-yloxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]urea Openeye Name: 1-tert-butyl-3-[3-[(4-isopropoxyphenyl)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]urea CAS Name: 1-tert-butyl-3-[3-[(4-propan-2-yloxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]urea IUPAC Name: 1-tert-butyl-3-[3-[(4-propan-2-yloxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]urea Traditional Name: 1-tert-butyl-3-[3-(4-isopropoxybenzyl)-5-thioxo-1H-1,2,4-triazol-4-yl]urea Formula: C17H25N5O2S MolecularWeight: 363.4777

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CC2=NNC(=S)N2NC(=O)NC(C)(C)C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CC2=NNC(=S)N2NC(=O)NC(C)(C)C

InChI

InChI=1S/C17H25N5O2S/c1-11(2)24-13-8-6-12(7-9-13)10-14-19-20-16(25)22(14)21-15(23)18-17(3,4)5/h6-9,11H,10H2,1-5H3,(H,20,25)(H2,18,21,23)