N-(1-adamantylcarbamoyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C22H31N5O2S MolecularWeight: 429.57884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4CC=C)C5CC5

Isomeric SMILES

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4CC=C)C5CC5

InChI

InChI=1S/C22H31N5O2S/c1-3-6-27-18(17-4-5-17)25-26-21(27)30-13(2)19(28)23-20(29)24-22-10-14-7-15(11-22)9-16(8-14)12-22/h3,13-17H,1,4-12H2,2H3,(H2,23,24,28,29)