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

Systemtic Name: N-(1-adamantylmethyl)-2-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantylmethyl)-2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantylmethyl)-2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantylmethyl)-2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29N5O2S/c1-29-18-4-2-17(3-5-18)20-25-26-21(27(20)23)30-12-19(28)24-13-22-9-14-6-15(10-22)8-16(7-14)11-22/h2-5,14-16H,6-13,23H2,1H3,(H,24,28)