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

Systemtic Name: 5-(octadecylamino)-2-phenyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1H-pyrazol-3-one Openeye Name: 5-(octadecylamino)-2-phenyl-4-(1-phenyltetrazol-5-yl)sulfanyl-1H-pyrazol-3-one CAS Name: 5-(octadecylamino)-2-phenyl-4-[(1-phenyl-5-tetrazolyl)thio]-1H-pyrazol-3-one IUPAC Name: 5-(octadecylamino)-2-phenyl-4-(1-phenyltetrazol-5-yl)sulfanyl-1H-pyrazol-3-one Traditional Name: 2-phenyl-4-[(1-phenyltetrazol-5-yl)thio]-5-(stearylamino)-3-pyrazolin-3-one Formula: C34H49N7OS MolecularWeight: 603.86416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1=C(C(=O)N(N1)C2=CC=CC=C2)SC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1=C(C(=O)N(N1)C2=CC=CC=C2)SC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C34H49N7OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-35-32-31(33(42)40(37-32)29-24-19-17-20-25-29)43-34-36-38-39-41(34)30-26-21-18-22-27-30/h17-22,24-27,35,37H,2-16,23,28H2,1H3