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

Systemtic Name: N-(1-adamantylmethyl)-N-methyl-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide Openeye Name: N-(1-adamantylmethyl)-N-methyl-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-(1-adamantylmethyl)-N-methyl-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide IUPAC Name: N-(1-adamantylmethyl)-N-methyl-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide Traditional Name: N-(1-adamantylmethyl)-N-methyl-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C23H30N4OS MolecularWeight: 410.5755

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)N(C)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)N(C)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H30N4OS/c1-15-3-5-19(6-4-15)21-24-25-22(29)27(21)13-20(28)26(2)14-23-10-16-7-17(11-23)9-18(8-16)12-23/h3-6,16-18H,7-14H2,1-2H3,(H,25,29)