1-[(4-isothiocyanatophenyl)methyl]-1,2,4-triazole

Systemtic Name: 1-[(4-isothiocyanatophenyl)methyl]-1,2,4-triazole Openeye Name: 1-[(4-isothiocyanatophenyl)methyl]-1,2,4-triazole CAS Name: 1-[(4-isothiocyanatophenyl)methyl]-1,2,4-triazole IUPAC Name: 1-[(4-isothiocyanatophenyl)methyl]-1,2,4-triazole Traditional Name: 1-(4-isothiocyanatobenzyl)-1,2,4-triazole Formula: C10H8N4S MolecularWeight: 216.26232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC=N2)N=C=S

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC=N2)N=C=S

InChI

InChI=1S/C10H8N4S/c15-8-12-10-3-1-9(2-4-10)5-14-7-11-6-13-14/h1-4,6-7H,5H2