3-[2-(3-methylphenoxy)ethylsulfanyl]-5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[2-(3-methylphenoxy)ethylsulfanyl]-5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[2-(3-methylphenoxy)ethylsulfanyl]-5-(4-nitrophenyl)-1,2,4-triazole CAS Name: 3-[2-(3-methylphenoxy)ethylthio]-5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[2-(3-methylphenoxy)ethylsulfanyl]-5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[2-(3-methylphenoxy)ethylthio]-5-(4-nitrophenyl)-1,2,4-triazole Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCSC2=NN=C(N2CC=C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCCSC2=NN=C(N2CC=C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3S/c1-3-11-23-19(16-7-9-17(10-8-16)24(25)26)21-22-20(23)28-13-12-27-18-6-4-5-15(2)14-18/h3-10,14H,1,11-13H2,2H3