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

Systemtic Name: 1-(2-methyl-1H-indol-3-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)propan-1-one CAS Name: 1-(2-methyl-1H-indol-3-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(2-methyl-1H-indol-3-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(2-methyl-1H-indol-3-yl)propan-1-one Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)SC3=NN=C(N3CC=C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)SC3=NN=C(N3CC=C)C4=CC=CC=C4

InChI

InChI=1S/C23H22N4OS/c1-4-14-27-22(17-10-6-5-7-11-17)25-26-23(27)29-16(3)21(28)20-15(2)24-19-13-9-8-12-18(19)20/h4-13,16,24H,1,14H2,2-3H3