1-(1,3-benzodioxol-5-yl)-3-[3-[(4-chloranylpyrazol-1-yl)methyl]phenyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[3-[(4-chloranylpyrazol-1-yl)methyl]phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[3-[(4-chloro-1-pyrazolyl)methyl]phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]thiourea Formula: C18H15ClN4O2S MolecularWeight: 386.8553

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CC=CC(=C3)CN4C=C(C=N4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CC=CC(=C3)CN4C=C(C=N4)Cl

InChI

InChI=1S/C18H15ClN4O2S/c19-13-8-20-23(10-13)9-12-2-1-3-14(6-12)21-18(26)22-15-4-5-16-17(7-15)25-11-24-16/h1-8,10H,9,11H2,(H2,21,22,26)