1-[1-(1-adamantyl)pyrazol-3-yl]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-prop-2-enyl-thiourea Openeye Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-allyl-thiourea CAS Name: 1-[1-(1-adamantyl)-3-pyrazolyl]-3-prop-2-enylthiourea IUPAC Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-prop-2-enylthiourea Traditional Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-allyl-thiourea Formula: C17H24N4S MolecularWeight: 316.46426

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NC1=NN(C=C1)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C=CCNC(=S)NC1=NN(C=C1)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C17H24N4S/c1-2-4-18-16(22)19-15-3-5-21(20-15)17-9-12-6-13(10-17)8-14(7-12)11-17/h2-3,5,12-14H,1,4,6-11H2,(H2,18,19,20,22)