1-methyl-3-[(E)-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methylideneamino]thiourea

Systemtic Name: 1-methyl-3-[(E)-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methylideneamino]thiourea Openeye Name: 1-[(E)-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methyleneamino]-3-methyl-thiourea CAS Name: 1-methyl-3-[(E)-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methylideneamino]thiourea IUPAC Name: 1-[(E)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-methylthiourea Traditional Name: 1-[(E)-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methyleneamino]-3-methyl-thiourea Formula: C18H18N6S MolecularWeight: 350.44072

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NN=CC1=CN(N=C1C2=CN=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CNC(=S)N/N=C/C1=CN(N=C1C2=CN=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C18H18N6S/c1-19-18(25)22-21-11-16-13-24(12-14-6-3-2-4-7-14)23-17(16)15-8-5-9-20-10-15/h2-11,13H,12H2,1H3,(H2,19,22,25)/b21-11+