5-chloranyl-8-[[5-[(3-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline

Systemtic Name: 5-chloranyl-8-[[5-[(3-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 8-[[4-allyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-5-chloro-quinoline CAS Name: 5-chloro-8-[[[5-[(3-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 5-chloro-8-[[5-[(3-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Traditional Name: 8-[[[4-allyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-5-chloro-quinoline Formula: C23H21ClN4OS MolecularWeight: 436.95704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=NN=C(N2CC=C)SCC3=C4C(=C(C=C3)Cl)C=CC=N4

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=NN=C(N2CC=C)SCC3=C4C(=C(C=C3)Cl)C=CC=N4

InChI

InChI=1S/C23H21ClN4OS/c1-3-12-28-21(14-29-18-7-4-6-16(2)13-18)26-27-23(28)30-15-17-9-10-20(24)19-8-5-11-25-22(17)19/h3-11,13H,1,12,14-15H2,2H3