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

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C25H31N5O2S MolecularWeight: 465.61094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4CC=C)C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4CC=C)C5=CC=CC=C5

InChI

InChI=1S/C25H31N5O2S/c1-3-9-30-21(20-7-5-4-6-8-20)28-29-24(30)33-16(2)22(31)26-23(32)27-25-13-17-10-18(14-25)12-19(11-17)15-25/h3-8,16-19H,1,9-15H2,2H3,(H2,26,27,31,32)