1-(1-adamantyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(1-adamantyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(1-adamantyl)-2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(1-adamantyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(1-adamantyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(1-adamantyl)-2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C22H27N3OS2 MolecularWeight: 413.59928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4C5CC5)C6=CC=CS6

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4C5CC5)C6=CC=CS6

InChI

InChI=1S/C22H27N3OS2/c1-13(19(26)22-10-14-7-15(11-22)9-16(8-14)12-22)28-21-24-23-20(18-3-2-6-27-18)25(21)17-4-5-17/h2-3,6,13-17H,4-5,7-12H2,1H3