N-(1-adamantylmethyl)-2-[[4-azanyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1-adamantylmethyl)-2-[[4-azanyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantylmethyl)-2-[[4-amino-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantylmethyl)-2-[[4-amino-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-[[4-amino-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantylmethyl)-2-[[4-amino-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H29N5OS MolecularWeight: 411.56356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2N)SCC(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2N)SCC(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29N5OS/c1-14-4-2-3-5-18(14)20-25-26-21(27(20)23)29-12-19(28)24-13-22-9-15-6-16(10-22)8-17(7-15)11-22/h2-5,15-17H,6-13,23H2,1H3,(H,24,28)