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

Systemtic Name: 1-(3-ethoxypropyl)-3-[(Z)-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methylideneamino]thiourea Openeye Name: 1-[(Z)-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methyleneamino]-3-(3-ethoxypropyl)thiourea CAS Name: 1-(3-ethoxypropyl)-3-[(Z)-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methylideneamino]thiourea IUPAC Name: 1-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-(3-ethoxypropyl)thiourea Traditional Name: 1-[(Z)-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methyleneamino]-3-(3-ethoxypropyl)thiourea Formula: C22H26N6OS MolecularWeight: 422.54644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6OS/c1-2-29-13-7-12-24-22(30)26-25-15-20-17-28(16-18-8-4-3-5-9-18)27-21(20)19-10-6-11-23-14-19/h3-6,8-11,14-15,17H,2,7,12-13,16H2,1H3,(H2,24,26,30)/b25-15-