1-[3-(4-chloranyl-3-methyl-pyrazol-1-yl)propyl]-3-[1-(phenylmethyl)pyrazol-4-yl]thiourea

Systemtic Name: 1-[3-(4-chloranyl-3-methyl-pyrazol-1-yl)propyl]-3-[1-(phenylmethyl)pyrazol-4-yl]thiourea Openeye Name: 1-(1-benzylpyrazol-4-yl)-3-[3-(4-chloro-3-methyl-pyrazol-1-yl)propyl]thiourea CAS Name: 1-[3-(4-chloro-3-methyl-1-pyrazolyl)propyl]-3-[1-(phenylmethyl)-4-pyrazolyl]thiourea IUPAC Name: 1-(1-benzylpyrazol-4-yl)-3-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]thiourea Traditional Name: 1-(1-benzylpyrazol-4-yl)-3-[3-(4-chloro-3-methyl-pyrazol-1-yl)propyl]thiourea Formula: C18H21ClN6S MolecularWeight: 388.91754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Cl)CCCNC(=S)NC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C=C1Cl)CCCNC(=S)NC2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C18H21ClN6S/c1-14-17(19)13-24(23-14)9-5-8-20-18(26)22-16-10-21-25(12-16)11-15-6-3-2-4-7-15/h2-4,6-7,10,12-13H,5,8-9,11H2,1H3,(H2,20,22,26)