N-(1-adamantylmethyl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1-adamantylmethyl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantylmethyl)-2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1-adamantylmethyl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantylmethyl)-2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C23H30N4OS MolecularWeight: 410.5755

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H30N4OS/c1-16-25-26-22(27(16)13-17-5-3-2-4-6-17)29-14-21(28)24-15-23-10-18-7-19(11-23)9-20(8-18)12-23/h2-6,18-20H,7-15H2,1H3,(H,24,28)