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

Systemtic Name: 1-(1H-indol-3-yl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)propan-1-one CAS Name: 1-(1H-indol-3-yl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(1H-indol-3-yl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(1H-indol-3-yl)propan-1-one Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SC(C)C(=O)C2=CNC3=CC=CC=C32

Isomeric SMILES

CC1=NN=C(N1CC=C)SC(C)C(=O)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C17H18N4OS/c1-4-9-21-12(3)19-20-17(21)23-11(2)16(22)14-10-18-15-8-6-5-7-13(14)15/h4-8,10-11,18H,1,9H2,2-3H3