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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4N)C5=CC=CC=C5OC

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4N)C5=CC=CC=C5OC

InChI

InChI=1S/C22H29N5O2S/c1-13(20(28)24-22-10-14-7-15(11-22)9-16(8-14)12-22)30-21-26-25-19(27(21)23)17-5-3-4-6-18(17)29-2/h3-6,13-16H,7-12,23H2,1-2H3,(H,24,28)