1-[2-(benzotriazol-1-yl)ethanoylamino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[2-(benzotriazol-1-yl)ethanoylamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[[2-(benzotriazol-1-yl)acetyl]amino]thiourea CAS Name: 1-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-3-prop-2-enylthiourea IUPAC Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[[2-(benzotriazol-1-yl)acetyl]amino]thiourea Formula: C12H14N6OS MolecularWeight: 290.34416

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NNC(=O)CN1C2=CC=CC=C2N=N1

Isomeric SMILES

C=CCNC(=S)NNC(=O)CN1C2=CC=CC=C2N=N1

InChI

InChI=1S/C12H14N6OS/c1-2-7-13-12(20)16-15-11(19)8-18-10-6-4-3-5-9(10)14-17-18/h2-6H,1,7-8H2,(H,15,19)(H2,13,16,20)