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

Systemtic Name: 1-butyl-3-[(1,3-diphenylpyrazol-4-yl)methylideneamino]thiourea Openeye Name: 1-butyl-3-[(1,3-diphenylpyrazol-4-yl)methyleneamino]thiourea CAS Name: 1-butyl-3-[(1,3-diphenyl-4-pyrazolyl)methylideneamino]thiourea IUPAC Name: 1-butyl-3-[(1,3-diphenylpyrazol-4-yl)methylideneamino]thiourea Traditional Name: 1-butyl-3-[(1,3-diphenylpyrazol-4-yl)methyleneamino]thiourea Formula: C21H23N5S MolecularWeight: 377.50582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5S/c1-2-3-14-22-21(27)24-23-15-18-16-26(19-12-8-5-9-13-19)25-20(18)17-10-6-4-7-11-17/h4-13,15-16H,2-3,14H2,1H3,(H2,22,24,27)