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

Systemtic Name: N-(1-adamantylmethyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methyl-propanamide Openeye Name: N-(1-adamantylmethyl)-3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-methyl-propanamide CAS Name: N-(1-adamantylmethyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methylpropanamide IUPAC Name: N-(1-adamantylmethyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methylpropanamide Traditional Name: N-(1-adamantylmethyl)-N-methyl-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propionamide Formula: C25H34N4O2S MolecularWeight: 454.62806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N(C)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N(C)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H34N4O2S/c1-3-31-21-6-4-20(5-7-21)23-26-27-24(32)29(23)9-8-22(30)28(2)16-25-13-17-10-18(14-25)12-19(11-17)15-25/h4-7,17-19H,3,8-16H2,1-2H3,(H,27,32)