N-(2-adamantylideneamino)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide

Systemtic Name: N-(2-adamantylideneamino)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Openeye Name: N-(2-adamantylideneamino)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide CAS Name: N-(2-adamantylideneamino)-4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzamide IUPAC Name: N-(2-adamantylideneamino)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Traditional Name: N-(2-adamantylideneamino)-4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=CC=C(C=C2)C(=O)NN=C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CN1C=NN=C1SCC2=CC=C(C=C2)C(=O)NN=C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C21H25N5OS/c1-26-12-22-25-21(26)28-11-13-2-4-16(5-3-13)20(27)24-23-19-17-7-14-6-15(9-17)10-18(19)8-14/h2-5,12,14-15,17-18H,6-11H2,1H3,(H,24,27)