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

Systemtic Name: 5-chloranyl-8-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Openeye Name: 8-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-chloro-quinoline CAS Name: 5-chloro-8-[[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]quinoline IUPAC Name: 5-chloro-8-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Traditional Name: 8-[[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-5-chloro-quinoline Formula: C16H15ClN4S MolecularWeight: 330.8351

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC2=C3C(=C(C=C2)Cl)C=CC=N3

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC2=C3C(=C(C=C2)Cl)C=CC=N3

InChI

InChI=1S/C16H15ClN4S/c1-3-9-21-11(2)19-20-16(21)22-10-12-6-7-14(17)13-5-4-8-18-15(12)13/h3-8H,1,9-10H2,2H3