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

Systemtic Name: N-[[4-[5-(4-methylphenyl)-1,2,3-triazol-1-yl]phenyl]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[[4-[5-(p-tolyl)triazol-1-yl]phenyl]carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[4-[5-(4-methylphenyl)-1-triazolyl]anilino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[5-(4-methylphenyl)triazol-1-yl]phenyl]carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[[4-[5-(p-tolyl)triazol-1-yl]phenyl]thiocarbamoyl]adamantane-1-carboxamide Formula: C27H29N5OS MolecularWeight: 471.61706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CN=NN2C3=CC=C(C=C3)NC(=S)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CN=NN2C3=CC=C(C=C3)NC(=S)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H29N5OS/c1-17-2-4-21(5-3-17)24-16-28-31-32(24)23-8-6-22(7-9-23)29-26(34)30-25(33)27-13-18-10-19(14-27)12-20(11-18)15-27/h2-9,16,18-20H,10-15H2,1H3,(H2,29,30,33,34)