2-[4-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]butyl]isoindoline-1,3-quinone Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=NN=C(N1CC=C)SCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H20N4O2S/c1-3-10-21-13(2)19-20-18(21)25-12-7-6-11-22-16(23)14-8-4-5-9-15(14)17(22)24/h3-5,8-9H,1,6-7,10-12H2,2H3