1-(benzotriazol-1-ylmethyl)-3-prop-2-enyl-thiourea

Systemtic Name: 1-(benzotriazol-1-ylmethyl)-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-(benzotriazol-1-ylmethyl)thiourea CAS Name: 1-(1-benzotriazolylmethyl)-3-prop-2-enylthiourea IUPAC Name: 1-(benzotriazol-1-ylmethyl)-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-(benzotriazol-1-ylmethyl)thiourea Formula: C11H13N5S MolecularWeight: 247.31942

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NCN1C2=CC=CC=C2N=N1

Isomeric SMILES

C=CCNC(=S)NCN1C2=CC=CC=C2N=N1

InChI

InChI=1S/C11H13N5S/c1-2-7-12-11(17)13-8-16-10-6-4-3-5-9(10)14-15-16/h2-6H,1,7-8H2,(H2,12,13,17)