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

Systemtic Name: 2-[[5-(1-adamantylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(1-adamantylmethyl)-4-allyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-(1-adamantylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-(1-adamantylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(1-adamantylmethyl)-4-allyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H26N4OS MolecularWeight: 346.49024

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)N)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)N)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H26N4OS/c1-2-3-22-16(20-21-17(22)24-11-15(19)23)10-18-7-12-4-13(8-18)6-14(5-12)9-18/h2,12-14H,1,3-11H2,(H2,19,23)