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

Systemtic Name: N-[[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[5-(2-anilino-2-oxo-ethyl)sulfanyl-4-benzyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[5-[(2-anilino-2-oxoethyl)thio]-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[5-(2-anilino-2-oxoethyl)sulfanyl-4-benzyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[5-[(2-anilino-2-keto-ethyl)thio]-4-benzyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C29H33N5O2S MolecularWeight: 515.66962

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=NN=C(N4CC5=CC=CC=C5)SCC(=O)NC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=NN=C(N4CC5=CC=CC=C5)SCC(=O)NC6=CC=CC=C6

InChI

InChI=1S/C29H33N5O2S/c35-26(31-24-9-5-2-6-10-24)19-37-28-33-32-25(34(28)18-20-7-3-1-4-8-20)17-30-27(36)29-14-21-11-22(15-29)13-23(12-21)16-29/h1-10,21-23H,11-19H2,(H,30,36)(H,31,35)