N-(1-adamantylmethyl)-2-chloranyl-5-(5-oxidanylidene-1H-1,2,4-triazol-4-yl)benzamide

Systemtic Name: N-(1-adamantylmethyl)-2-chloranyl-5-(5-oxidanylidene-1H-1,2,4-triazol-4-yl)benzamide Openeye Name: N-(1-adamantylmethyl)-2-chloro-5-(5-oxo-1H-1,2,4-triazol-4-yl)benzamide CAS Name: N-(1-adamantylmethyl)-2-chloro-5-(5-oxo-1H-1,2,4-triazol-4-yl)benzamide IUPAC Name: N-(1-adamantylmethyl)-2-chloro-5-(5-oxo-1H-1,2,4-triazol-4-yl)benzamide Traditional Name: N-(1-adamantylmethyl)-2-chloro-5-(5-keto-1H-1,2,4-triazol-4-yl)benzamide Formula: C20H23ClN4O2 MolecularWeight: 386.87522

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)N5C=NNC5=O)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)N5C=NNC5=O)Cl

InChI

InChI=1S/C20H23ClN4O2/c21-17-2-1-15(25-11-23-24-19(25)27)6-16(17)18(26)22-10-20-7-12-3-13(8-20)5-14(4-12)9-20/h1-2,6,11-14H,3-5,7-10H2,(H,22,26)(H,24,27)