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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC2=CC3=CC=CC=C3N=C2Cl

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC2=CC3=CC=CC=C3N=C2Cl

InChI

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