5-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazole

Systemtic Name: 5-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazole Openeye Name: 5-(1-naphthylmethylsulfanyl)-1H-1,2,4-triazole CAS Name: 5-(1-naphthalenylmethylthio)-1H-1,2,4-triazole IUPAC Name: 5-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazole Traditional Name: 5-(1-naphthylmethylthio)-1H-1,2,4-triazole Formula: C13H11N3S MolecularWeight: 241.31154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CSC3=NC=NN3

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CSC3=NC=NN3

InChI

InChI=1S/C13H11N3S/c1-2-7-12-10(4-1)5-3-6-11(12)8-17-13-14-9-15-16-13/h1-7,9H,8H2,(H,14,15,16)