4-butyl-5-(phenylmethyl)-1-sulfanyl-1,2,3-triazole

Systemtic Name: 4-butyl-5-(phenylmethyl)-1-sulfanyl-1,2,3-triazole Openeye Name: 5-benzyl-4-butyl-1-sulfanyl-triazole CAS Name: 4-butyl-1-mercapto-5-(phenylmethyl)triazole IUPAC Name: 5-benzyl-4-butyl-1-sulfanyltriazole Traditional Name: 5-benzyl-4-butyl-1-mercapto-triazole Formula: C13H17N3S MolecularWeight: 247.35918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N=N1)S)CC2=CC=CC=C2

Isomeric SMILES

CCCCC1=C(N(N=N1)S)CC2=CC=CC=C2

InChI

InChI=1S/C13H17N3S/c1-2-3-9-12-13(16(17)15-14-12)10-11-7-5-4-6-8-11/h4-8,17H,2-3,9-10H2,1H3