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

Systemtic Name: 1-(phenylmethyl)-3-[(E)-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methylideneamino]thiourea Openeye Name: 1-benzyl-3-[(E)-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methyleneamino]thiourea CAS Name: 1-(phenylmethyl)-3-[(E)-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methylideneamino]thiourea IUPAC Name: 1-benzyl-3-[(E)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]thiourea Traditional Name: 1-benzyl-3-[(E)-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methyleneamino]thiourea Formula: C24H22N6S MolecularWeight: 426.53668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NN=CC2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)N/N=C/C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H22N6S/c31-24(26-14-19-8-3-1-4-9-19)28-27-16-22-18-30(17-20-10-5-2-6-11-20)29-23(22)21-12-7-13-25-15-21/h1-13,15-16,18H,14,17H2,(H2,26,28,31)/b27-16+