5-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N3-phenyl-benzene-1,3-diamine

Systemtic Name: 5-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N3-phenyl-benzene-1,3-diamine Openeye Name: 5-[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N3-phenyl-benzene-1,3-diamine CAS Name: 5-[[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-N3-phenylbenzene-1,3-diamine IUPAC Name: 5-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-N-phenylbenzene-1,3-diamine Traditional Name: [3-[[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-5-amino-phenyl]-phenyl-amine Formula: C25H25N5OS MolecularWeight: 443.5639

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC3=CC(=CC(=C3)NC4=CC=CC=C4)N

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC3=CC(=CC(=C3)NC4=CC=CC=C4)N

InChI

InChI=1S/C25H25N5OS/c1-3-12-30-24(19-8-7-11-23(15-19)31-2)28-29-25(30)32-17-18-13-20(26)16-22(14-18)27-21-9-5-4-6-10-21/h3-11,13-16,27H,1,12,17,26H2,2H3