3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-(1-phenyltetrazol-5-yl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(1-phenyl-5-tetrazolyl)thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-(1-phenyltetrazol-5-yl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(1-phenyltetrazol-5-yl)thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C12H13N7OS MolecularWeight: 303.34292

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CCCN1C(=O)NN=C1SC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C12H13N7OS/c1-2-8-18-10(20)13-14-11(18)21-12-15-16-17-19(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,20)