N-(3,4-dimethoxyphenyl)-3-[(3-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine

Systemtic Name: N-(3,4-dimethoxyphenyl)-3-[(3-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: N-(3,4-dimethoxyphenyl)-3-[(3-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: N-(3,4-dimethoxyphenyl)-3-[(3-methoxyphenyl)methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: N-(3,4-dimethoxyphenyl)-3-[(3-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: (3,4-dimethoxyphenyl)-[3-(m-anisylthio)-1H-1,2,4-triazol-5-yl]amine Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NN2)SCC3=CC(=CC=C3)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NN2)SCC3=CC(=CC=C3)OC)OC

InChI

InChI=1S/C18H20N4O3S/c1-23-14-6-4-5-12(9-14)11-26-18-20-17(21-22-18)19-13-7-8-15(24-2)16(10-13)25-3/h4-10H,11H2,1-3H3,(H2,19,20,21,22)