N-[[5-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[5-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-benzyl-5-[2-(4-methoxyanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[5-[[2-(4-methoxyanilino)-2-oxoethyl]thio]-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-benzyl-5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[4-benzyl-5-[[2-keto-2-(p-anisidino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C30H35N5O3S MolecularWeight: 545.6956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H35N5O3S/c1-38-25-9-7-24(8-10-25)32-27(36)19-39-29-34-33-26(35(29)18-20-5-3-2-4-6-20)17-31-28(37)30-14-21-11-22(15-30)13-23(12-21)16-30/h2-10,21-23H,11-19H2,1H3,(H,31,37)(H,32,36)