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

Systemtic Name: N-[[4-(4-methoxyphenyl)-5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[5-(2-anilino-2-oxo-ethyl)sulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[5-[(2-anilino-2-oxoethyl)thio]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[5-(2-anilino-2-oxoethyl)sulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[5-[(2-anilino-2-keto-ethyl)thio]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C29H33N5O3S MolecularWeight: 531.66902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H33N5O3S/c1-37-24-9-7-23(8-10-24)34-25(32-33-28(34)38-18-26(35)31-22-5-3-2-4-6-22)17-30-27(36)29-14-19-11-20(15-29)13-21(12-19)16-29/h2-10,19-21H,11-18H2,1H3,(H,30,36)(H,31,35)