N-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]adamantane-1-carboxamide

Systemtic Name: N-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]adamantane-1-carboxamide Openeye Name: N-[1-[4-(5-chloro-2-methyl-phenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]adamantane-1-carboxamide CAS Name: N-[1-[4-(5-chloro-2-methylphenyl)-5-[(3-methoxyphenyl)methylthio]-1,2,4-triazol-3-yl]ethyl]-1-adamantanecarboxamide IUPAC Name: N-[1-[4-(5-chloro-2-methylphenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]adamantane-1-carboxamide Traditional Name: N-[1-[4-(5-chloro-2-methyl-phenyl)-5-(m-anisylthio)-1,2,4-triazol-3-yl]ethyl]adamantane-1-carboxamide Formula: C30H35ClN4O2S MolecularWeight: 551.1425

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C(=NN=C2SCC3=CC(=CC=C3)OC)C(C)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C(=NN=C2SCC3=CC(=CC=C3)OC)C(C)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H35ClN4O2S/c1-18-7-8-24(31)13-26(18)35-27(33-34-29(35)38-17-20-5-4-6-25(12-20)37-3)19(2)32-28(36)30-14-21-9-22(15-30)11-23(10-21)16-30/h4-8,12-13,19,21-23H,9-11,14-17H2,1-3H3,(H,32,36)