1-(oxolan-2-ylmethyl)-3-[(E)-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methylideneamino]thiourea

Systemtic Name: 1-(oxolan-2-ylmethyl)-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-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 1-(2-oxolanylmethyl)-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-(oxolan-2-ylmethyl)thiourea Traditional Name: 1-[(E)-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methyleneamino]-3-(tetrahydrofurfuryl)thiourea Formula: C22H24N6OS MolecularWeight: 420.53056

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)NN=CC2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(OC1)CNC(=S)N/N=C/C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N6OS/c30-22(24-14-20-9-5-11-29-20)26-25-13-19-16-28(15-17-6-2-1-3-7-17)27-21(19)18-8-4-10-23-12-18/h1-4,6-8,10,12-13,16,20H,5,9,11,14-15H2,(H2,24,26,30)/b25-13+