N-[[[4-azanyl-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl-phenyl-methyl]carbamoyl]ethanamide

Systemtic Name: N-[[[4-azanyl-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl-phenyl-methyl]carbamoyl]ethanamide Openeye Name: N-[[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl-phenyl-methyl]carbamoyl]acetamide CAS Name: N-[[[[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-phenylmethyl]amino]-oxomethyl]acetamide IUPAC Name: N-[[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl-phenylmethyl]carbamoyl]acetamide Traditional Name: N-[[[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-phenyl-methyl]carbamoyl]acetamide Formula: C23H28N6O3S MolecularWeight: 468.57182

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=O)NC(C1=CC=CC=C1)SC2=NN=C(N2N)COC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(=O)NC(=O)NC(C1=CC=CC=C1)SC2=NN=C(N2N)COC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H28N6O3S/c1-15(30)25-21(31)26-20(16-8-6-5-7-9-16)33-22-28-27-19(29(22)24)14-32-18-12-10-17(11-13-18)23(2,3)4/h5-13,20H,14,24H2,1-4H3,(H2,25,26,30,31)