butane; ethyl 2-[5-[(2-bromophenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]ethanoate

Systemtic Name: butane; ethyl 2-[5-[(2-bromophenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]ethanoate Openeye Name: butane; ethyl 2-[5-[(2-bromobenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate CAS Name: 2-[5-[[(2-bromophenyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]acetic acid ethyl ester; butane IUPAC Name: butane; ethyl 2-[5-[(2-bromobenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate Traditional Name: 2-[5-[(2-bromobenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetic acid ethyl ester; n-butane Formula: C17H22BrN3O3S MolecularWeight: 428.34388

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.CCOC(=O)CC1=NN=C(S1)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CCCC.CCOC(=O)CC1=NN=C(S1)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C13H12BrN3O3S.C4H10/c1-2-20-11(18)7-10-16-17-13(21-10)15-12(19)8-5-3-4-6-9(8)14;1-3-4-2/h3-6H,2,7H2,1H3,(H,15,17,19);3-4H2,1-2H3