tert-butyl N-[(Z)-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]methylideneamino]carbamate

Systemtic Name: tert-butyl N-[(Z)-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]methylideneamino]carbamate Openeye Name: tert-butyl N-[(Z)-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]methyleneamino]carbamate CAS Name: N-[(Z)-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methylideneamino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]carbamate Traditional Name: N-[(Z)-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]methyleneamino]carbamic acid tert-butyl ester Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN=CC1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N/N=C\C1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O2S/c1-20(2,3)26-19(25)22-21-12-16-14-24(13-15-8-5-4-6-9-15)23-18(16)17-10-7-11-27-17/h4-12,14H,13H2,1-3H3,(H,22,25)/b21-12-