3-[3-[2-[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[2-[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[2-[(5-bromo-2-thienyl)methyl-ethyl-amino]-2-oxo-ethyl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[[2-[(5-bromo-2-thiophenyl)methyl-ethylamino]-2-oxoethyl]thio]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[2-[(5-bromothiophen-2-yl)methyl-ethylamino]-2-oxoethyl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[[2-[(5-bromo-2-thienyl)methyl-ethyl-amino]-2-keto-ethyl]thio]-5-cyclopropyl-1,2,4-triazol-4-yl]propionamide Formula: C17H22BrN5O2S2 MolecularWeight: 472.42288

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Br)C(=O)CSC2=NN=C(N2CCC(=O)N)C3CC3

Isomeric SMILES

CCN(CC1=CC=C(S1)Br)C(=O)CSC2=NN=C(N2CCC(=O)N)C3CC3

InChI

InChI=1S/C17H22BrN5O2S2/c1-2-22(9-12-5-6-13(18)27-12)15(25)10-26-17-21-20-16(11-3-4-11)23(17)8-7-14(19)24/h5-6,11H,2-4,7-10H2,1H3,(H2,19,24)