4-(1H-indol-3-yl)-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]butanamide

Systemtic Name: 4-(1H-indol-3-yl)-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]butanamide Openeye Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-4-(1H-indol-3-yl)butanamide CAS Name: 4-(1H-indol-3-yl)-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]butanamide IUPAC Name: 4-(1H-indol-3-yl)-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]butanamide Traditional Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-4-(1H-indol-3-yl)butyramide Formula: C21H22N6OS2 MolecularWeight: 438.56898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CCCC2=CNC3=CC=CC=C32)C4=NNC(=S)N4CC=C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CCCC2=CNC3=CC=CC=C32)C4=NNC(=S)N4CC=C

InChI

InChI=1S/C21H22N6OS2/c1-3-11-27-19(25-26-21(27)29)18-13(2)23-20(30-18)24-17(28)10-6-7-14-12-22-16-9-5-4-8-15(14)16/h3-5,8-9,12,22H,1,6-7,10-11H2,2H3,(H,26,29)(H,23,24,28)