3-cyclopropyl-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-cyclopropyl-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-benzyl-3-cyclopropyl-1H-1,2,4-triazole-5-thione CAS Name: 3-cyclopropyl-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-benzyl-3-cyclopropyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-benzyl-3-cyclopropyl-1H-1,2,4-triazole-5-thione Formula: C12H13N3S MolecularWeight: 231.31672

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NNC(=S)N2CC3=CC=CC=C3

Isomeric SMILES

C1CC1C2=NNC(=S)N2CC3=CC=CC=C3

InChI

InChI=1S/C12H13N3S/c16-12-14-13-11(10-6-7-10)15(12)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,16)