methyl 2-[[3-(3-methylfuran-2-yl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-[[3-(3-methylfuran-2-yl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-[[4-allyl-3-(3-methyl-2-furyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[[3-(3-methyl-2-furanyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[3-(3-methylfuran-2-yl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-[[4-allyl-3-(3-methyl-2-furyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC=C1)C2=NN(C(=S)N2CC=C)CN3CC4=CC=CC=C4CC3C(=O)OC

Isomeric SMILES

CC1=C(OC=C1)C2=NN(C(=S)N2CC=C)CN3CC4=CC=CC=C4CC3C(=O)OC

InChI

InChI=1S/C22H24N4O3S/c1-4-10-25-20(19-15(2)9-11-29-19)23-26(22(25)30)14-24-13-17-8-6-5-7-16(17)12-18(24)21(27)28-3/h4-9,11,18H,1,10,12-14H2,2-3H3