4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C20H21N5O3S2 MolecularWeight: 443.54244

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CC(OC3=CC=CC=C32)C(=O)NC)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CC(OC3=CC=CC=C32)C(=O)NC)C4=CC=CS4

InChI

InChI=1S/C20H21N5O3S2/c1-3-24-18(16-9-6-10-29-16)22-23-20(24)30-12-17(26)25-11-15(19(27)21-2)28-14-8-5-4-7-13(14)25/h4-10,15H,3,11-12H2,1-2H3,(H,21,27)