1-(2-methyl-1H-indol-3-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(2-methyl-1H-indol-3-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone CAS Name: 1-(2-methyl-1H-indol-3-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2-methyl-1H-indol-3-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(2-methyl-1H-indol-3-yl)ethanone Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NN=C(N3CC=C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NN=C(N3CC=C)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4OS/c1-3-13-26-21(16-9-5-4-6-10-16)24-25-22(26)28-14-19(27)20-15(2)23-18-12-8-7-11-17(18)20/h3-12,23H,1,13-14H2,2H3