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

Systemtic Name: N-(1-adamantylmethyl)-3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(1-adamantylmethyl)-3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(1-adamantylmethyl)-3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(1-adamantylmethyl)-3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(1-adamantylmethyl)-3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C23H30N4O2S MolecularWeight: 426.5749

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H30N4O2S/c1-29-19-4-2-18(3-5-19)21-25-26-22(30)27(21)7-6-20(28)24-14-23-11-15-8-16(12-23)10-17(9-15)13-23/h2-5,15-17H,6-14H2,1H3,(H,24,28)(H,26,30)