N-aminocarbonyl-2-[[4-azanyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanamide

Systemtic Name: N-aminocarbonyl-2-[[4-azanyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanamide Openeye Name: 2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-3-methyl-butanamide CAS Name: 2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-carbamoyl-3-methylbutanamide IUPAC Name: 2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-3-methylbutanamide Traditional Name: 2-[(4-amino-5-p-phenetyl-1,2,4-triazol-3-yl)thio]-N-carbamoyl-3-methyl-butyramide Formula: C16H22N6O3S MolecularWeight: 378.44928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SC(C(C)C)C(=O)NC(=O)N

InChI

InChI=1S/C16H22N6O3S/c1-4-25-11-7-5-10(6-8-11)13-20-21-16(22(13)18)26-12(9(2)3)14(23)19-15(17)24/h5-9,12H,4,18H2,1-3H3,(H3,17,19,23,24)