3-(2-chloranyl-4-nitro-phenyl)sulfanyl-5-[(2-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(2-chloranyl-4-nitro-phenyl)sulfanyl-5-[(2-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(2-chloro-4-nitro-phenyl)sulfanyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazole CAS Name: 3-[(2-chloro-4-nitrophenyl)thio]-5-[(2-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(2-chloro-4-nitrophenyl)sulfanyl-5-[(2-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(2-chloro-4-nitro-phenyl)thio]-5-[(2-methylphenoxy)methyl]-1,2,4-triazole Formula: C19H17ClN4O3S MolecularWeight: 416.88128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NN=C(N2CC=C)SC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=CC=C1OCC2=NN=C(N2CC=C)SC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H17ClN4O3S/c1-3-10-23-18(12-27-16-7-5-4-6-13(16)2)21-22-19(23)28-17-9-8-14(24(25)26)11-15(17)20/h3-9,11H,1,10,12H2,2H3