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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC3=NN=C(N3N)SCC4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC3=NN=C(N3N)SCC4=CC=CC=C4Cl

InChI

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