2-[[5-(1-adamantyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[[5-(1-adamantyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitro-phenyl)ethanamide Openeye Name: 2-[[5-(1-adamantyl)-4-allyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitro-phenyl)acetamide CAS Name: 2-[[5-(1-adamantyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(2-methyl-5-nitrophenyl)acetamide IUPAC Name: 2-[[5-(1-adamantyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide Traditional Name: 2-[[5-(1-adamantyl)-4-allyl-1,2,4-triazol-3-yl]thio]-N-(2-methyl-5-nitro-phenyl)acetamide Formula: C24H29N5O3S MolecularWeight: 467.58376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2CC=C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2CC=C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H29N5O3S/c1-3-6-28-22(24-11-16-7-17(12-24)9-18(8-16)13-24)26-27-23(28)33-14-21(30)25-20-10-19(29(31)32)5-4-15(20)2/h3-5,10,16-18H,1,6-9,11-14H2,2H3,(H,25,30)