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

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C26H33N5O3S MolecularWeight: 495.63692

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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=C5OC

Isomeric SMILES

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4CC=C)C5=CC=CC=C5OC

InChI

InChI=1S/C26H33N5O3S/c1-4-9-31-22(20-7-5-6-8-21(20)34-3)29-30-25(31)35-16(2)23(32)27-24(33)28-26-13-17-10-18(14-26)12-19(11-17)15-26/h4-8,16-19H,1,9-15H2,2-3H3,(H2,27,28,32,33)