N-[(4-tert-butylphenyl)methyl]-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methyl-propanamide

Systemtic Name: N-[(4-tert-butylphenyl)methyl]-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methyl-propanamide Openeye Name: N-[(4-tert-butylphenyl)methyl]-3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-methyl-propanamide CAS Name: N-[(4-tert-butylphenyl)methyl]-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methylpropanamide IUPAC Name: N-[(4-tert-butylphenyl)methyl]-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methylpropanamide Traditional Name: N-(4-tert-butylbenzyl)-N-methyl-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propionamide Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N(C)CC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N(C)CC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H32N4O2S/c1-6-31-21-13-9-19(10-14-21)23-26-27-24(32)29(23)16-15-22(30)28(5)17-18-7-11-20(12-8-18)25(2,3)4/h7-14H,6,15-17H2,1-5H3,(H,27,32)