5-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-amine

Systemtic Name: 5-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-amine Openeye Name: 4-allyl-5-[[4-(p-tolylsulfonyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-amine CAS Name: 5-[[4-(4-methylphenyl)sulfonylphenyl]methylthio]-4-prop-2-enyl-1,2,4-triazol-3-amine IUPAC Name: 5-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-amine Traditional Name: [4-allyl-5-[(4-tosylbenzyl)thio]-1,2,4-triazol-3-yl]amine Formula: C19H20N4O2S2 MolecularWeight: 400.5177

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)CSC3=NN=C(N3CC=C)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)CSC3=NN=C(N3CC=C)N

InChI

InChI=1S/C19H20N4O2S2/c1-3-12-23-18(20)21-22-19(23)26-13-15-6-10-17(11-7-15)27(24,25)16-8-4-14(2)5-9-16/h3-11H,1,12-13H2,2H3,(H2,20,21)