1-(phthalazin-1-ylamino)-3-prop-2-enyl-thiourea

Systemtic Name: 1-(phthalazin-1-ylamino)-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-(phthalazin-1-ylamino)thiourea CAS Name: 1-(1-phthalazinylamino)-3-prop-2-enylthiourea IUPAC Name: 1-(phthalazin-1-ylamino)-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-(phthalazin-1-ylamino)thiourea Formula: C12H13N5S MolecularWeight: 259.33012

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NNC1=NN=CC2=CC=CC=C21

Isomeric SMILES

C=CCNC(=S)NNC1=NN=CC2=CC=CC=C21

InChI

InChI=1S/C12H13N5S/c1-2-7-13-12(18)17-16-11-10-6-4-3-5-9(10)8-14-15-11/h2-6,8H,1,7H2,(H,15,16)(H2,13,17,18)