1-[[(E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]amino]-3-pentyl-thiourea

Systemtic Name: 1-[[(E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]amino]-3-pentyl-thiourea Openeye Name: 1-[[(E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoyl]amino]-3-pentyl-thiourea CAS Name: 1-[[(E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-1-oxoprop-2-enyl]amino]-3-pentylthiourea IUPAC Name: 1-[[(E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoyl]amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[[(E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)acryloyl]amino]thiourea Formula: C20H26ClN5OS MolecularWeight: 419.97134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)C=CC1=C(N(N=C1C)CC2=CC=CC=C2)Cl

Isomeric SMILES

CCCCCNC(=S)NNC(=O)/C=C/C1=C(N(N=C1C)CC2=CC=CC=C2)Cl

InChI

InChI=1S/C20H26ClN5OS/c1-3-4-8-13-22-20(28)24-23-18(27)12-11-17-15(2)25-26(19(17)21)14-16-9-6-5-7-10-16/h5-7,9-12H,3-4,8,13-14H2,1-2H3,(H,23,27)(H2,22,24,28)/b12-11+