1-[(E)-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]methylideneamino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[(E)-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]methylideneamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(E)-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)methyleneamino]thiourea CAS Name: 1-[(E)-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]methylideneamino]-3-prop-2-enylthiourea IUPAC Name: 1-[(E)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(E)-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)methyleneamino]thiourea Formula: C16H18ClN5S MolecularWeight: 347.86562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NNC(=S)NCC=C)Cl)CC2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1/C=N/NC(=S)NCC=C)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C16H18ClN5S/c1-3-9-18-16(23)20-19-10-14-12(2)21-22(15(14)17)11-13-7-5-4-6-8-13/h3-8,10H,1,9,11H2,2H3,(H2,18,20,23)/b19-10+