2-[[5-(1-adamantylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-[[5-(1-adamantylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)ethanamide Openeye Name: 2-[[5-(1-adamantylmethyl)-4-allyl-1,2,4-triazol-3-yl]sulfanyl]-N-(m-tolyl)acetamide CAS Name: 2-[[5-(1-adamantylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[[5-(1-adamantylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide Traditional Name: 2-[[5-(1-adamantylmethyl)-4-allyl-1,2,4-triazol-3-yl]thio]-N-(m-tolyl)acetamide Formula: C25H32N4OS MolecularWeight: 436.61278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H32N4OS/c1-3-7-29-22(15-25-12-18-9-19(13-25)11-20(10-18)14-25)27-28-24(29)31-16-23(30)26-21-6-4-5-17(2)8-21/h3-6,8,18-20H,1,7,9-16H2,2H3,(H,26,30)