N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Systemtic Name: N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[4-(4-tert-butylphenyl)thiazol-2-yl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[4-(4-tert-butylphenyl)-2-thiazolyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-[4-(4-tert-butylphenyl)thiazol-2-yl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C22H23N5OS3 MolecularWeight: 469.64592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C22H23N5OS3/c1-22(2,3)15-8-6-14(7-9-15)16-13-31-20(23-16)24-18(28)10-11-27-19(25-26-21(27)29)17-5-4-12-30-17/h4-9,12-13H,10-11H2,1-3H3,(H,26,29)(H,23,24,28)