2-chloranyl-7-methyl-3-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline

Systemtic Name: 2-chloranyl-7-methyl-3-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 3-[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-chloro-7-methyl-quinoline CAS Name: 2-chloro-7-methyl-3-[[[5-(2-methyl-3-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 2-chloro-7-methyl-3-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Traditional Name: 3-[[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]methyl]-2-chloro-7-methyl-quinoline Formula: C21H19ClN4OS MolecularWeight: 410.91976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)CSC3=NN=C(N3CC=C)C4=C(OC=C4)C)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)CSC3=NN=C(N3CC=C)C4=C(OC=C4)C)Cl

InChI

InChI=1S/C21H19ClN4OS/c1-4-8-26-20(17-7-9-27-14(17)3)24-25-21(26)28-12-16-11-15-6-5-13(2)10-18(15)23-19(16)22/h4-7,9-11H,1,8,12H2,2-3H3