3-butyl-1-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-1-methyl-thiourea

Systemtic Name: 3-butyl-1-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-1-methyl-thiourea Openeye Name: 3-butyl-1-[(E)-(1,3-diphenylpyrazol-4-yl)methyleneamino]-1-methyl-thiourea CAS Name: 3-butyl-1-[(E)-(1,3-diphenyl-4-pyrazolyl)methylideneamino]-1-methylthiourea IUPAC Name: 3-butyl-1-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-1-methylthiourea Traditional Name: 3-butyl-1-[(E)-(1,3-diphenylpyrazol-4-yl)methyleneamino]-1-methyl-thiourea Formula: C22H25N5S MolecularWeight: 391.5324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N(C)N=CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=S)N(C)/N=C/C1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H25N5S/c1-3-4-15-23-22(28)26(2)24-16-19-17-27(20-13-9-6-10-14-20)25-21(19)18-11-7-5-8-12-18/h5-14,16-17H,3-4,15H2,1-2H3,(H,23,28)/b24-16+