1-(2-phenyl-1H-indol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone

Systemtic Name: 1-(2-phenyl-1H-indol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(2-phenyl-1H-indol-3-yl)ethanone CAS Name: 1-(2-phenyl-1H-indol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 1-(2-phenyl-1H-indol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Traditional Name: 2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]-1-(2-phenyl-1H-indol-3-yl)ethanone Formula: C21H18N4OS2 MolecularWeight: 406.52382

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN=C(S1)SCC(=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C=CCNC1=NN=C(S1)SCC(=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4OS2/c1-2-12-22-20-24-25-21(28-20)27-13-17(26)18-15-10-6-7-11-16(15)23-19(18)14-8-4-3-5-9-14/h2-11,23H,1,12-13H2,(H,22,24)