3-[(3-chloranylthiophen-2-yl)methylsulfanyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[(3-chloranylthiophen-2-yl)methylsulfanyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(3-chloro-2-thienyl)methylsulfanyl]-N-(m-tolyl)-1H-1,2,4-triazol-5-amine CAS Name: 3-[(3-chloro-2-thiophenyl)methylthio]-N-(3-methylphenyl)-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(3-chlorothiophen-2-yl)methylsulfanyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(3-chloro-2-thienyl)methylthio]-1H-1,2,4-triazol-5-yl]-(m-tolyl)amine Formula: C14H13ClN4S2 MolecularWeight: 336.86282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=NN2)SCC3=C(C=CS3)Cl

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=NN2)SCC3=C(C=CS3)Cl

InChI

InChI=1S/C14H13ClN4S2/c1-9-3-2-4-10(7-9)16-13-17-14(19-18-13)21-8-12-11(15)5-6-20-12/h2-7H,8H2,1H3,(H2,16,17,18,19)