1-[2-[4-(2-azanyl-3-cyano-4,5-diphenyl-pyrrol-1-yl)butyl]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea

Systemtic Name: 1-[2-[4-(2-azanyl-3-cyano-4,5-diphenyl-pyrrol-1-yl)butyl]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea Openeye Name: 1-[2-[4-(2-amino-3-cyano-4,5-diphenyl-pyrrol-1-yl)butyl]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea CAS Name: 1-[2-[4-(2-amino-3-cyano-4,5-diphenyl-1-pyrrolyl)butyl]phenyl]-3-(6-phenyl-3-pyridazinyl)thiourea IUPAC Name: 1-[2-[4-(2-amino-3-cyano-4,5-diphenylpyrrol-1-yl)butyl]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea Traditional Name: 1-[2-[4-(2-amino-3-cyano-4,5-diphenyl-pyrrol-1-yl)butyl]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea Formula: C38H33N7S MolecularWeight: 619.78052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=S)NC3=CC=CC=C3CCCCN4C(=C(C(=C4N)C#N)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=S)NC3=CC=CC=C3CCCCN4C(=C(C(=C4N)C#N)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C38H33N7S/c39-26-31-35(29-18-6-2-7-19-29)36(30-20-8-3-9-21-30)45(37(31)40)25-13-12-17-27-16-10-11-22-32(27)41-38(46)42-34-24-23-33(43-44-34)28-14-4-1-5-15-28/h1-11,14-16,18-24H,12-13,17,25,40H2,(H2,41,42,44,46)