N-[[4-[5-(4-methoxyphenyl)-1,2,3-triazol-1-yl]phenyl]carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[5-(4-methoxyphenyl)-1,2,3-triazol-1-yl]phenyl]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[4-[5-(4-methoxyphenyl)-1-triazolyl]anilino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]thiocarbamoyl]adamantane-1-carboxamide Formula: C27H29N5O2S MolecularWeight: 487.61646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN=NN2C3=CC=C(C=C3)NC(=S)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN=NN2C3=CC=C(C=C3)NC(=S)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H29N5O2S/c1-34-23-8-2-20(3-9-23)24-16-28-31-32(24)22-6-4-21(5-7-22)29-26(35)30-25(33)27-13-17-10-18(14-27)12-19(11-17)15-27/h2-9,16-19H,10-15H2,1H3,(H2,29,30,33,35)