2-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]prop-2-enyl]-7-nitro-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]prop-2-enyl]-7-nitro-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]allyl]-7-nitro-3,4-dihydro-1H-isoquinoline CAS Name: 2-[2-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]prop-2-enyl]-7-nitro-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]prop-2-enyl]-7-nitro-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[2-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]allyl]-7-nitro-3,4-dihydro-1H-isoquinoline Formula: C22H23N5O2S MolecularWeight: 421.51532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=C)CN2CCC3=C(C2)C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC(=C)CN2CCC3=C(C2)C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H23N5O2S/c1-16(13-26-11-10-17-8-9-20(27(28)29)12-19(17)14-26)15-30-22-24-23-21(25(22)2)18-6-4-3-5-7-18/h3-9,12H,1,10-11,13-15H2,2H3