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

Systemtic Name: 3-[(4-chlorophenyl)-phenyl-methyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(4-chlorophenyl)-phenyl-methyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[(4-chlorophenyl)-phenylmethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(4-chlorophenyl)-phenylmethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[(4-chlorophenyl)-phenyl-methyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C18H18ClN3OS MolecularWeight: 359.87302

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCN1C(=O)NN=C1SC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClN3OS/c1-2-12-22-17(23)20-21-18(22)24-16(13-6-4-3-5-7-13)14-8-10-15(19)11-9-14/h3-11,16H,2,12H2,1H3,(H,20,23)