5-[(2-chlorophenyl)methylsulfanyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-amine

Systemtic Name: 5-[(2-chlorophenyl)methylsulfanyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-amine Openeye Name: 5-[(2-chlorophenyl)methylsulfanyl]-4-(1-naphthylmethyl)-1,2,4-triazol-3-amine CAS Name: 5-[(2-chlorophenyl)methylthio]-4-(1-naphthalenylmethyl)-1,2,4-triazol-3-amine IUPAC Name: 5-[(2-chlorophenyl)methylsulfanyl]-4-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-amine Traditional Name: [5-[(2-chlorobenzyl)thio]-4-(1-naphthylmethyl)-1,2,4-triazol-3-yl]amine Formula: C20H17ClN4S MolecularWeight: 380.89378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CN3C(=NN=C3SCC4=CC=CC=C4Cl)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CN3C(=NN=C3SCC4=CC=CC=C4Cl)N

InChI

InChI=1S/C20H17ClN4S/c21-18-11-4-2-7-16(18)13-26-20-24-23-19(22)25(20)12-15-9-5-8-14-6-1-3-10-17(14)15/h1-11H,12-13H2,(H2,22,23)