1-[(E)-[3-(benzotriazol-1-ylmethyl)-4-methoxy-phenyl]methylideneamino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[(E)-[3-(benzotriazol-1-ylmethyl)-4-methoxy-phenyl]methylideneamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(E)-[3-(benzotriazol-1-ylmethyl)-4-methoxy-phenyl]methyleneamino]thiourea CAS Name: 1-[(E)-[3-(1-benzotriazolylmethyl)-4-methoxyphenyl]methylideneamino]-3-prop-2-enylthiourea IUPAC Name: 1-[(E)-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(E)-[3-(benzotriazol-1-ylmethyl)-4-methoxy-benzylidene]amino]thiourea Formula: C19H20N6OS MolecularWeight: 380.4667

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=S)NCC=C)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/NC(=S)NCC=C)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C19H20N6OS/c1-3-10-20-19(27)23-21-12-14-8-9-18(26-2)15(11-14)13-25-17-7-5-4-6-16(17)22-24-25/h3-9,11-12H,1,10,13H2,2H3,(H2,20,23,27)/b21-12+