tert-butyl N-[2-methoxy-5-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoylamino]phenyl]carbamate

Systemtic Name: tert-butyl N-[2-methoxy-5-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoylamino]phenyl]carbamate Openeye Name: tert-butyl N-[2-methoxy-5-[3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoylamino]phenyl]carbamate CAS Name: N-[2-methoxy-5-[[1-oxo-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propyl]amino]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-methoxy-5-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoylamino]phenyl]carbamate Traditional Name: N-[2-methoxy-5-[3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoylamino]phenyl]carbamic acid tert-butyl ester Formula: C21H25N5O4S2 MolecularWeight: 475.5843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=CC(=C1)NC(=O)CCN2C(=NNC2=S)C3=CC=CS3)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=CC(=C1)NC(=O)CCN2C(=NNC2=S)C3=CC=CS3)OC

InChI

InChI=1S/C21H25N5O4S2/c1-21(2,3)30-20(28)23-14-12-13(7-8-15(14)29-4)22-17(27)9-10-26-18(24-25-19(26)31)16-6-5-11-32-16/h5-8,11-12H,9-10H2,1-4H3,(H,22,27)(H,23,28)(H,25,31)