1-[[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)-phenyl-methylidene]amino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)-phenyl-methylidene]amino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenyl-methylene]amino]thiourea CAS Name: 1-[[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethylidene]amino]-3-prop-2-enylthiourea IUPAC Name: 1-[[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethylidene]amino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)-phenyl-methylene]amino]thiourea Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(=NNC(=S)NCC=C)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)C1C(=NNC(=S)NCC=C)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N5OS/c1-3-14-22-21(28)24-23-19(16-10-6-4-7-11-16)18-15(2)25-26(20(18)27)17-12-8-5-9-13-17/h3-13,18H,1,14H2,2H3,(H2,22,24,28)